Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13932
- Core Entity Id
- 18655
- Source Entity Count
- 1
- Preferred Name
- Cathine
- Name En
- Pubchem Id
- 10297
- Smiles Canonical
- CC(C(C1=CC=CC=C1)O)N
- Molecular Formula
- C9H13NO
- Molecular Weight
- 151.2090
- Inchikey
- DLNKOYKMWOXYQA-APPZFPTMSA-N
- Inchi
- InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
- Isomeric Smiles
- CC(C(C1=CC=CC=C1)O)N
- Cas Id
- 492-41-1
- Ob Score
- 66.0510
- Mol Logp
- 1.0672
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6640
- Polar Surface Area
- 46.2500
- Molecular Volume
- 128.9600
- Alogp
- 0.8020
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cathine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
D-Norpseudoephedrine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Norpseudoephedrine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-amino-1-phenyl-1-propanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-amino-1-phenyl-1-propanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-amino-1-phenyl-1-propanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cathine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cathine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cathine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
D-Demethyl pseudoephedrine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
D-Demethyl pseudoephedrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
D-Norpseudoephedrine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
D-Norpseudoephedrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
D-demethyl pseudoephedrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
D-demethyl pseudoephedrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
D-norpseudoephedrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
D-norpseudoephedrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Norpseudoephedrine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Norpseudoephedrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Norpseudoephedrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Norpseudoephedrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Usaf Cs-6
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Usaf cs-6
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Usaf cs-6
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Usaf cs-6
Role
preferred
Source
TCMBank
Preferred
Yes
Name
中麻黄;木贼麻黄;麻黄(草麻黄)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
异株矮麻黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
麻黄(草麻黄)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MA HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
YI ZHU AI MA HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
ZHONG MA HUANG;MU ZEI MA HUANG;MA HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Ephedra
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Dioecious Small Ephedra
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Intermediate Ephedra;Mongolian Ephedra ;Chinese Ephedra
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Norpseudoephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+-)-Norephedrin
Role
alias
Source
SymMap_v2
Preferred
No
Name
(-)- Norephedrine Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))-
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-NORPSEUDOEPHEDRINE
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Norephedrin
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-Norephedrin
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Norephedrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Norephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Norephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Norephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R)-2-amino-1-phenylpropan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,2R)-2-amino-1-phenylpropan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2S)-(-)-Norephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2S)-(-)-Norephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,2S)-(−)-Norephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2S)-2-Amino-1-phenyl-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2S)-2-amino-1-phenylpropan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2R)-(+)-2-Amino-1-phenyl-1-propanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1S,2R)-(+)-Norephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2R)-(+)-Norephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2R)-(+)-Norephedrine, 98%
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1S,2R)-(+)-Phenylpropanolamine
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1S,2R)-2-amino-1-phenylpropan-1-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(R*,S*)-(1)-alpha-(1-Aminoethyl)benzyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(R,S)-(-)-Norephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(R-(R*,S*))-alpha-(1-Aminoethyl)benzyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Propanol, 2-amino-1-phenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
1-Propanol, 2-amino-1-phenyl-, (-)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
14838-15-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
1r,2s-phenylpropylamine
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Amino-2-methyl-1-phenylethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Amino-2-methyl-1-phenylethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-amino-1-phenylpropan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-amino-1-phenylpropan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
27818-48-0
Role
alias
Source
SymMap_v2
Preferred
No
Name
282553_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
37577-07-4
Role
alias
Source
HERB_v2
Preferred
No
Name
37577-07-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
37577-28-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
48115-38-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
48115-38-4
Role
alias
Source
HERB_v2
Preferred
No
Name
492-41-1
Role
alias
Source
TCMBank
Preferred
No
Name
492-41-1
Role
alias
Source
HERB_v2
Preferred
No
Name
492-41-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
74530_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
753492-51-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
7875H6443P
Role
alias
Source
SymMap_v2
Preferred
No
Name
AB00375975
Role
alias
Source
SymMap_v2
Preferred
No
Name
AB00375975_05
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L1C6K
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1OCG33
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK313330
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS027322360
Role
alias
Source
SymMap_v2
Preferred
No
Name
AN-5886
Role
alias
Source
SymMap_v2
Preferred
No
Name
Acutrim
Role
alias
Source
SymMap_v2
Preferred
No
Name
Ami-Tex
Role
alias
Source
SymMap_v2
Preferred
No
Name
BDBM50405613
Role
alias
Source
SymMap_v2
Preferred
No
Name
BIDD:GT0376
Role
alias
Source
SymMap_v2
Preferred
No
Name
BPBio1_000361
Role
alias
Source
SymMap_v2
Preferred
No
Name
BRD-K27853494-001-02-5
Role
alias
Source
SymMap_v2
Preferred
No
Name
BRN 2802895
Role
alias
Source
SymMap_v2
Preferred
No
Name
BRN 3196918
Role
alias
Source
SymMap_v2
Preferred
No
Name
BSPBio_000327
Role
alias
Source
SymMap_v2
Preferred
No
Name
BSPBio_003292
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzenemethanol, (R*,S*)-(.+-.)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzenemethanol, alpha-((1R)-1-aminoethyl)-, (alphaS)-rel-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzenemethanol, alpha-((1S)-1-aminoethyl)-, (alphaR)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-((1S)-1-aminoethyl)-, (alphaS)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzenemethanol, alpha-(1-aminoethyl)-, (R*,S*)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-aminoethyl)-, (S-(R*,S*))-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzyl alcohol, alpha-(1-aminoethyl)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzyl alcohol, alpha-(1-aminoethyl)-, (-)-
Role
alias
Source
TCMBank
Preferred
No
Name
C02343
Role
alias
Source
SymMap_v2
Preferred
No
Name
C9H13NO
Role
alias
Source
SymMap_v2
Preferred
No
Name
CCG-39586
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:36
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:8104
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8104
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1788114
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1788114
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2092846
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cathina
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cathina [INN-Spanish]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cathine
Role
alias
Source
HERB_v2
Preferred
No
Name
Cathine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cathine [INN]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cathinum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cathinum
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cathinum
Role
alias
Source
HERB_v2
Preferred
No
Name
Cathinum [INN-Latin]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Codimal
Role
alias
Source
SymMap_v2
Preferred
No
Name
Conex
Role
alias
Source
SymMap_v2
Preferred
No
Name
Constituent of "Khat" plant
Role
alias
Source
SymMap_v2
Preferred
No
Name
Contuss
Role
alias
Source
SymMap_v2
Preferred
No
Name
D-Cathine
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Cathine
Role
alias
Source
itcmdb_public
Preferred
No
Name
D04KKT
Role
alias
Source
SymMap_v2
Preferred
No
Name
D09JXM
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB00397
Role
alias
Source
SymMap_v2
Preferred
No
Name
DEA Code 1225
Role
alias
Source
SymMap_v2
Preferred
No
Name
DEA No. 1230
Role
alias
Source
SymMap_v2
Preferred
No
Name
DLNKOYKMWOXYQA-VXNVDRBHSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID4023466
Role
alias
Source
SymMap_v2
Preferred
No
Name
Despec
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dexatrim
Role
alias
Source
SymMap_v2
Preferred
No
Name
DivK1c_007030
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dura-Vent
Role
alias
Source
SymMap_v2
Preferred
No
Name
EINECS 207-754-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
EINECS 207-755-7
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 211-850-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
EINECS 238-900-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
Exponcit
Role
alias
Source
SymMap_v2
Preferred
No
Name
Exponcit
Role
alias
Source
HERB_v2
Preferred
No
Name
Exponcit
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fansia
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fansia (TN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fenilpropanolamina
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fenilpropanolamina [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Fugoa
Role
alias
Source
HERB_v2
Preferred
No
Name
Fugoa
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fugoa
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fugoa Depot
Role
alias
Source
SymMap_v2
Preferred
No
Name
Gentab
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guaipax
Role
alias
Source
SymMap_v2
Preferred
No
Name
HSDB 6485
Role
alias
Source
SymMap_v2
Preferred
No
Name
I01-8913
Role
alias
Source
SymMap_v2
Preferred
No
Name
InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_001974
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBio2_001583
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004151
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_006719
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_001778
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002512
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBioGR_001385
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_001950
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBioSS_001583
Role
alias
Source
TCMBank
Preferred
No
Name
Katine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Katine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Katine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-(-)-Ephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-(-)-Ephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-(-)-Norephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-.alpha.-(1-Aminoethyl)benzyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Phenyl Propanolamine
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-176795
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-97285
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-97462
Role
alias
Source
SymMap_v2
Preferred
No
Name
Minusine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Minusine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Minusine
Role
alias
Source
HERB_v2
Preferred
No
Name
Mucron
Role
alias
Source
SymMap_v2
Preferred
No
Name
Mydriatin
Role
alias
Source
TCMBank
Preferred
No
Name
Mydriatin
Role
alias
Source
HERB_v2
Preferred
No
Name
Mydriatin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myminic
Role
alias
Source
SymMap_v2
Preferred
No
Name
N0631
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00178157-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00178157-02
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC 17704
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-120735
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-120735
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC9920
Role
alias
Source
SymMap_v2
Preferred
No
Name
Naldecon
Role
alias
Source
SymMap_v2
Preferred
No
Name
Nolex
Role
alias
Source
SymMap_v2
Preferred
No
Name
Norephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Norpseudoephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
PDSP1_001348
Role
alias
Source
SymMap_v2
Preferred
No
Name
PDSP1_001349
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP2_001332
Role
alias
Source
SymMap_v2
Preferred
No
Name
PDSP2_001333
Role
alias
Source
TCMBank
Preferred
No
Name
PPA [Nasal Decongestant]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Partuss
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenoxine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenyldrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylfenesin
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylpropanolamin
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylpropanolamina
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylpropanolamina [INN-Spanish]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylpropanolamine (VAN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylpropanolamine [INN:BAN]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylpropanolaminum
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylpropanolaminum [INN-Latin]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Prestwick3_000324
Role
alias
Source
SymMap_v2
Preferred
No
Name
Prestwick_388
Role
alias
Source
SymMap_v2
Preferred
No
Name
Proin (TN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Propadrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propadrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Propadrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Propagest
Role
alias
Source
SymMap_v2
Preferred
No
Name
Propalin (TN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Pseudonorephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pseudonorephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
QQ0FVC4PXS
Role
alias
Source
HERB_v2
Preferred
No
Name
QQ0FVC4PXS
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhindecon
Role
alias
Source
SymMap_v2
Preferred
No
Name
Rhymed
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL26905
Role
alias
Source
SymMap_v2
Preferred
No
Name
SDCCGMLS-0066900.P001
Role
alias
Source
SymMap_v2
Preferred
No
Name
SPBio_000051
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_000471
Role
alias
Source
SymMap_v2
Preferred
No
Name
SPECTRUM2300253
Role
alias
Source
SymMap_v2
Preferred
No
Name
Snaplets
Role
alias
Source
SymMap_v2
Preferred
No
Name
SpecPlus_000934
Role
alias
Source
SymMap_v2
Preferred
No
Name
Spectrum2_000016
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_000516
Role
alias
Source
SymMap_v2
Preferred
No
Name
Spectrum3_000889
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001706
Role
alias
Source
SymMap_v2
Preferred
No
Name
Spectrum4_000983
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001685
Role
alias
Source
SymMap_v2
Preferred
No
Name
Spectrum5_000330
Role
alias
Source
SymMap_v2
Preferred
No
Name
Spectrum5_001156
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001103
Role
alias
Source
TCMBank
Preferred
No
Name
Super Odrinex
Role
alias
Source
SymMap_v2
Preferred
No
Name
TAVIST-D
Role
alias
Source
SymMap_v2
Preferred
No
Name
ULR
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-33RU150WUN component DLNKOYKMWOXYQA-VXNVDRBHSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-683H0R9659
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-683H0R9659
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-683H0R9659 component DLNKOYKMWOXYQA-VXNVDRBHSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-7875H6443P
Role
alias
Source
SymMap_v2
Preferred
No
Name
Vanex
Role
alias
Source
SymMap_v2
Preferred
No
Name
WLN: ZY1&YQR
Role
alias
Source
SymMap_v2
Preferred
No
Name
WLN: ZY1&YQR -L
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC1930
Role
alias
Source
SymMap_v2
Preferred
No
Name
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-(1-aminoethyl)benzyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-(1-aminoethyl)benzyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-hydroxyamphetamine
Role
alias
Source
SymMap_v2
Preferred
No
Name
d-Nor-psi-ephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
d-Norephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
d-Norpseudoephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
dl-1-Phenyl-2-aminopropanol-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
dl-2-Amino-1-hydroxy-1-phenylpropane
Role
alias
Source
SymMap_v2
Preferred
No
Name
dl-Norephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
dl-Phenylpropanolamine
Role
alias
Source
SymMap_v2
Preferred
No
Name
dl-alpha-(1-Aminoethyl)benzyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
dl-alpha-Hydroxy-beta-aminopropylbenzene
Role
alias
Source
SymMap_v2
Preferred
No
Name
erythro-(1R,2S)-Norephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
l-Nor-psi-ephedrin
Role
alias
Source
SymMap_v2
Preferred
No
Name
l-Nor-psi-ephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Nor-psi-ephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
l-Nor-psi-ephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-Norephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Norephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
l-Norephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-Phenylpropanolamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-Phenylpropanolamine
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Phenylpropanolamine
Role
alias
Source
TCMBank
Preferred
No
Name
norpseudoephedrine, (R*,S*)-isomer
Role
alias
Source
SymMap_v2
Preferred
No
Name
norpseudoephedrine, (S-(R*,R*))-isomer
Role
alias
Source
SymMap_v2
Preferred
No
Name
phenylpropanolamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
phenylpropanolamine
Role
alias
Source
SymMap_v2
Preferred
No
Name
phenylpropanolamine
Role
alias
Source
HERB_v2
Preferred
No
Name
psi-Norephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
psi-Norephedrine
Role
alias
Source
SymMap_v2
Preferred
No
Name
psi-Norephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-2-Amino-1-phenylpropan-1-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1R,2S)-norephedrine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
麻黄根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Ephedra sinica Stapf
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ephedra Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
14.收涩药(17-17)
Role
level1_name
Source
TCMBank
Preferred
No
Name
astringent medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.固表止汗(3-3)
Role
level2_name
Source
TCMBank
Preferred
No
Name
anhidrotic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
D-NorpseudoephedrineNorpseudoephedrine2-amino-1-phenyl-1-propanolD-Demethyl pseudoephedrineUsaf Cs-6中麻黄;木贼麻黄;麻黄(草麻黄)异株矮麻黄麻黄(草麻黄)MA HUANGYI ZHU AI MA HUANGZHONG MA HUANG;MU ZEI MA HUANG;MA HUANGChinese EphedraDioecious Small EphedraIntermediate Ephedra;Mongolian Ephedra ;Chinese Ephedra(+)-Norpseudoephedrine(+-)-Norephedrin(-)- Norephedrine Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))-(-)-NORPSEUDOEPHEDRINE(-)-Norephedrin(-)-Norephedrine(1R,2R)-2-amino-1-phenylpropan-1-ol(1R,2S)-(-)-Norephedrine(1R,2S)-(−)-Norephedrine(1R,2S)-2-Amino-1-phenyl-1-propanol(1R,2S)-2-amino-1-phenylpropan-1-ol(1S,2R)-(+)-2-Amino-1-phenyl-1-propanol(1S,2R)-(+)-Norephedrine(1S,2R)-(+)-Norephedrine, 98%(1S,2R)-(+)-Phenylpropanolamine(1S,2R)-2-amino-1-phenylpropan-1-ol(R*,S*)-(1)-alpha-(1-Aminoethyl)benzyl alcohol(R,S)-(-)-Norephedrine(R-(R*,S*))-alpha-(1-Aminoethyl)benzyl alcohol1-Propanol, 2-amino-1-phenyl-1-Propanol, 2-amino-1-phenyl-, (-)- (9CI)14838-15-41r,2s-phenylpropylamine2-Amino-2-methyl-1-phenylethanol2-amino-1-phenylpropan-1-ol27818-48-0282553_ALDRICH37577-07-437577-28-948115-38-4492-41-174530_FLUKA753492-51-27875H6443PAB00375975AB00375975_05AC1L1C6KAC1OCG33AK313330AKOS027322360AN-5886AcutrimAmi-TexBDBM50405613BIDD:GT0376BPBio1_000361BRD-K27853494-001-02-5BRN 2802895BRN 3196918BSPBio_000327BSPBio_003292Benzenemethanol, (R*,S*)-(.+-.)-Benzenemethanol, alpha-((1R)-1-aminoethyl)-, (alphaS)-rel-Benzenemethanol, alpha-((1S)-1-aminoethyl)-, (alphaR)-Benzenemethanol, alpha-((1S)-1-aminoethyl)-, (alphaS)-Benzenemethanol, alpha-(1-aminoethyl)-, (R*,S*)-Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))- (9CI)Benzenemethanol, alpha-(1-aminoethyl)-, (S-(R*,S*))-Benzyl alcohol, alpha-(1-aminoethyl)-Benzyl alcohol, alpha-(1-aminoethyl)-, (-)-C02343C9H13NOCCG-39586CHEBI:36CHEBI:8104CHEMBL1788114CHEMBL2092846CathinaCathina [INN-Spanish]Cathine [INN]CathinumCathinum [INN-Latin]CodimalConexConstituent of "Khat" plantContussD-CathineD04KKTD09JXMDB00397DEA Code 1225DEA No. 1230DLNKOYKMWOXYQA-VXNVDRBHSA-NDTXSID4023466DespecDexatrimDivK1c_007030Dura-VentEINECS 207-754-1EINECS 207-755-7EINECS 211-850-9EINECS 238-900-2ExponcitFansiaFansia (TN)FenilpropanolaminaFenilpropanolamina [Italian]FugoaFugoa DepotGentabGuaipaxHSDB 6485I01-8913InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/sKBio1_001974KBio2_001583KBio2_004151KBio2_006719KBio3_001778KBio3_002512KBioGR_001385KBioGR_001950KBioSS_001583KatineL-(-)-EphedrineL-(-)-NorephedrineL-.alpha.-(1-Aminoethyl)benzyl alcoholL-Phenyl PropanolamineLS-176795LS-97285LS-97462MinusineMucronMydriatinMyminicN0631NCGC00178157-01NCGC00178157-02NSC 17704NSC-120735NSC9920NaldeconNolexNorephedrinePDSP1_001348PDSP1_001349PDSP2_001332PDSP2_001333PPA [Nasal Decongestant]PartussPhenoxinePhenyldrinePhenylfenesinPhenylpropanolaminPhenylpropanolaminaPhenylpropanolamina [INN-Spanish]Phenylpropanolamine (VAN)Phenylpropanolamine [INN:BAN]PhenylpropanolaminumPhenylpropanolaminum [INN-Latin]Prestwick3_000324Prestwick_388Proin (TN)PropadrinePropagestPropalin (TN)PseudonorephedrineQQ0FVC4PXSRhindeconRhymedSCHEMBL26905SDCCGMLS-0066900.P001SPBio_000051SPBio_000471SPECTRUM2300253SnapletsSpecPlus_000934Spectrum2_000016Spectrum2_000516Spectrum3_000889Spectrum3_001706Spectrum4_000983Spectrum4_001685Spectrum5_000330Spectrum5_001156Spectrum_001103Super OdrinexTAVIST-DULRUNII-33RU150WUN component DLNKOYKMWOXYQA-VXNVDRBHSA-NUNII-683H0R9659UNII-683H0R9659 component DLNKOYKMWOXYQA-VXNVDRBHSA-NUNII-7875H6443PVanexWLN: ZY1&YQRWLN: ZY1&YQR -LZINC1930[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azaniumalpha-(1-aminoethyl)benzyl alcoholbeta-hydroxyamphetamined-Nor-psi-ephedrined-Norephedrinedl-1-Phenyl-2-aminopropanol-1dl-2-Amino-1-hydroxy-1-phenylpropanedl-Norephedrinedl-Phenylpropanolaminedl-alpha-(1-Aminoethyl)benzyl alcoholdl-alpha-Hydroxy-beta-aminopropylbenzeneerythro-(1R,2S)-Norephedrinel-Nor-psi-ephedrinl-Nor-psi-ephedrinel-Norephedrinel-Phenylpropanolaminenorpseudoephedrine, (R*,S*)-isomernorpseudoephedrine, (S-(R*,R*))-isomerphenylpropanolaminepsi-Norephedrinetrans-2-Amino-1-phenylpropan-1-ol(1R,2S)-norephedrine麻黄根Ephedra sinica StapfEphedra Root14.收涩药(17-17)astringent medicinal1.固表止汗(3-3)anhidrotic medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
492-39-7492-41-1
Herb
HBIN005303HBIN019962HBIN022837HBIN024347HBIN037334HBIN037375HBIN047626
Npass
NPC108606NPC108607NPC164514NPC226096NPC290515NPC303611
Tcmid
1578023736307543085535122
Tcmsp
MOL009190MOL009191
Sym Map
SMIT10354SMIT10355SMIT16924SMIT18428
Tcm Id
161891997122158710
Pub Chem
102971622654414574786
Tcmbank
TCMBANKIN016755TCMBANKIN030605TCMBANKIN037132TCMBANKIN054449TCMBANKIN056798TCMBANKIN059076TCMBANKIN004581
Etcm Ingredient
D-Demethyl pseudoephedrine(1R,2S)-norephedrine
Itcmdb Generated
ITX-INGREDIENT-3AF6E7924C7BITX-INGREDIENT-43CF3E8E77B1ITX-INGREDIENT-A95D699C1625ITX-INGREDIENT-DD13202D7144ITX-INGREDIENT-DDCA7122E941ITX-INGREDIENT-7045162D5C47ITX-INGREDIENT-9FE77437C955
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.41308
Jx
2.7239
Jy
2.78174
Bic
0.63379
Cic
1.04634
Phi
2.62703
Sic
0.69753
Log D
-0.176
Sc 0
11
Sc 1
11
Sc 2
14
Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
0.802
Chi 0
8.26758
Chi 1
5.21521
Chi 2
4.50122
In Ch I
InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1
Mol Wt
151.209
Pmi X
27.959628.135930.5131
Cas Id
492-41-1
Energy
13.8614.214.78
Sc 3 C
3
Sc 3 P
16
Smiles
CC(C(C1=CC=CC=C1)O)Nc1([H])c([C@@]([H])(O[H])[C@@]([H])(N([H])[H])C([H])([H])[H])c([H])c([H])c([H])c1[H]c1([H])c([H])c([C@]([H])(O[H])[C@@]([H])(N([H])[H])C([H])([H])[H])c([H])c([H])c1[H]c1([H])c([H])c([H])c([C@@]([H])([C@@](C([H])([H])[H])([H])N([H])[H])O[H])c([H])c1[H]
Zagreb
50
37 Flag
37
Chi 3 C
0.69245
Chi 3 P
3.44496
Chi V 0
6.56601
Chi V 1
3.70157
Chi V 2
2.71463
C Count
9
Kappa 1
9.0909
Kappa 2
4.13265
Kappa 3
2.5
Mol Log P
1.0672
N Count
1
O Count
1
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
44.912
Chi 3 Ch
0
Dipole X
-0.29182-0.847490.4674
Dipole Y
-0.16537-0.65503-0.80909
Dipole Z
-0.182870.79010.79022
Iac Mean
1.39183
In Ch Ikey
DLNKOYKMWOXYQA-APPZFPTMSA-NDLNKOYKMWOXYQA-CBAPKCEASA-NDLNKOYKMWOXYQA-IONNQARKSA-NDLNKOYKMWOXYQA-UHFFFAOYSA-N
Is Chiral
0
Ob Score
66.05166.0510916966.05109268.9429718368.943
Suppress
0
Tcm Name
中麻黄;木贼麻黄;麻黄(草麻黄)异株矮麻黄麻黄麻黄(草麻黄)
Admet Bbb
-0.655
Chi V 3 C
0.36321
Chi V 3 P
1.63912
Es Sum D O
0
Es Sum T N
0
E Adj Equ
94.4347
E Adj Mag
134.606
Hba Count
0
Hbd Count
2
Iac Total
33.4041
Jurs Rasa
0.748720.759240.76324
Jurs Rncg
0.35943
Jurs Rncs
12.708912.785913.5561
Jurs Rpcg
0.74761
Jurs Rpcs
7.222758.12569.20901
Jurs Rpsa
0.236750.240750.25127
Jurs Sasa
306.776308.22308.57
Jurs Tasa
229.691234.28235.247
Jurs Tpsa
72.973374.290177.0847
Num Atoms
11
Num Bonds
11
Num Rings
1
Shadow Xy
43.490443.56545.6393
Shadow Xz
31.034331.529631.6411
Shadow Yz
19.92520.67620.7592
Shadow Nu
2.108412.111022.49969
Tcm Name2
Ephedra equisetinaMA HUANGYI ZHU AI MA HUANGZHONG MA HUANG;MU ZEI MA HUANG;MA HUANG
V Adj Equ
82.7686
V Adj Mag
98.1075
Mol2 Path
/TCM_database/1.解表药(28-28)/1.发散风寒药(16-16)/麻黄/Ephedra equisetina/structure/norpseudoephedrine.mol2/TCM_database/2003_3d_all/2139.mol2/TCM_database/2003_3d_all/6388.mol2/TCM_database/2007_3d_all/15789.mol2
Reference
2, 6,658, 660, 1521, 550826606
Chi V 3 Ch
0
Dipole Mag
0.82521.167921.17048
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
9.472
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
8.23861
Kappa 2 Am
3.50755
Kappa 3 Am
2.03278
Num Hdonors
2
Num Chains
3
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
1
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
9.431
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0.877
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
0
Es Sum S Ch3
1.789
Es Sum S Nh2
5.517
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-260.748-261.847-265.717
Jurs Dpsa 3
39.181239.637840.3253
Jurs Fnsa 1
0.922510.924770.93307
Jurs Fnsa 2
-0.99262-0.99506-1.00399
Jurs Fnsa 3
-0.12255-0.12353-0.12738
Jurs Fpsa 1
0.066920.075220.07748
Jurs Fpsa 2
0.008390.009440.00972
Jurs Fpsa 3
0.004070.004570.00493
Jurs Pnsa 1
284.659285.033286.246
Jurs Pnsa 2
-306.292-306.694-308
Jurs Pnsa 3
-37.7713-38.115-39.0747
Jurs Ppsa 1
20.529723.186523.9111
Jurs Ppsa 3
1.250661.409871.52288
Jurs Wnsa 1
87.813687.837587.8529
Jurs Wnsa 2
-94.487-94.5127-94.5293
Jurs Wnsa 3
-11.6419-11.7612-11.9872
Jurs Wpsa 1
6.298037.146547.37825
Jurs Wpsa 3
0.383670.434550.46991
Num Pi Bonds
0
Tcm Name En
Chinese EphedraDioecious Small Ephedra Herba EphedraeIntermediate Ephedra;Mongolian Ephedra ;Chinese Ephedra
Level1 Name
1.解表药(28-28)
Level2 Name
1.发散风寒药(16-16)
Admet Psa 2 D
47.355
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
1
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
-0.757
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
2
Num H Donors
2
Admet Alog P98
0.802
Admet Ext Ppb
-6.5356
Drug Likeness
0.664
Es Count Aa Ch
5
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
1
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
0
Es Count S Ch3
1
Es Count S Nh2
1
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
2
Num Fragments
1
Num Hydrogens
13
Num Ring Bonds
6
Organic Count
11
Rad Of Gyration
1.809021.813531.81804
Shadow Xyfrac
0.677620.705160.70967
Shadow Xzfrac
0.668330.671660.77217
Shadow Yzfrac
0.709670.711020.73949
Strain Energy
14.5414.7615.05
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
2
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
151.1
Molecular Sasa
332.285
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
10.02329.97239.97333
Shadow Ylength
6.155756.183936.71959
Shadow Zlength
4.009774.723914.73026
Level1 Name En
exterior-releasing medicinal
Level2 Name En
wind-cold-dispersing
Admet Bbb Level
3
Isomeric Smiles
CC(C(C1=CC=CC=C1)O)NC[C@@H]([C@@H](C1=CC=CC=C1)O)NC[C@@H]([C@H](C1=CC=CC=C1)O)NC[C@H]([C@@H](C1=CC=CC=C1)O)N
Molecular Savol
288.879
Molecule Weight
151.23
Num Atom Classes
9
Num Bridge Bonds
0
Num H Acceptors
2
Num Repeat Units
0
Admet Ext Cyp2 D6
-1.36644
Admet Solubility
-0.778
Canonical Smiles
CC(C(C1=CC=CC=C1)O)N
Herb Alias Names
phenylpropanolamine48115-38-42-amino-1-phenylpropan-1-olPropadrine(1S,2R)-(+)-Norephedrinealpha-(1-aminoethyl)benzyl alcoholNSC-120735UNII-683H0R96592-Amino-2-methyl-1-phenylethanol
Minimized Energy
-0.68-0.850.02
Molecular Weight
151.100
Molecular Volume
128.96130.33
Molecular Weight
151.206151.21
Molecule Formula
C9H13NO
Num Macro Chains
0
Molecular Formula
C9H13NO
Molecular Formula
C9H13NO
Molecular Formula
C9H13NO
Num Rotatable Bonds
2
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
11
Num Explicit Bonds
11
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
2
Molecular Polar Sasa
104.684
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-1.797
Admet Ext Hepatotoxic
-10.2863
Admet Unknown Alog P98
0
Molecular Surface Area
174.73
Num Explicit Hydrogens
0
Num H Donors Lipinski
3
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
4
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
2
Molecular Polar Surface Area
46.25
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.315
Admet Ext Ppb Applicability#Md
8.73173
Fda Maximum Daily Dose (Fdamdd)
0.038
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
9.9212
Admet Ext Ppb Applicability#Mdpvalue
0.999074
Molecular Fractional Polar Surface Area
0.264
Admet Ext Hepatotoxic Applicability#Md
6.2004
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.130927
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.999935
Quantitative Estimate Of Drug Likeness（Qed）
0.664