Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 7Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27060
- Core Entity Id
- 33266
- Source Entity Count
- 1
- Preferred Name
- N-[6-(9-acridinylamino)hexyl]benzamide
- Name En
- Pubchem Id
- 146515
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)NCCCCCCNC2=C3C=CC=CC3=NC4=CC=CC=C42
- Molecular Formula
- C26H27N3O
- Molecular Weight
- 397.5220
- Inchikey
- JTYVPRRAWICLKB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H27N3O/c30-26(20-12-4-3-5-13-20)28-19-11-2-1-10-18-27-25-21-14-6-8-16-23(21)29-24-17-9-7-15-22(24)25/h3-9,12-17H,1-2,10-11,18-19H2,(H,27,29)(H,28,30)
- Isomeric Smiles
- C1=CC=C(C=C1)C(=O)NCCCCCCNC2=C3C=CC=CC3=NC4=CC=CC=C42
- Cas Id
- Ob Score
- 41.7030
- Mol Logp
- 5.7903
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-[6-(9-Acridinylamino)Hexyl]Benzamide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N-[6-(9-Acridinylamino)Hexyl]Benzamide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-[6-(9-acridinylamino)hexyl]benzamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-[6-(9-acridinylamino)hexyl]benzamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-[6-(9-acridinylamino)hexyl]benzamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-[6-(9-acridinylamino)hexyl]benzamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-[6-(acridin-9-ylamino)hexyl]benzamide
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
N-[6-(acridin-9-ylamino)hexyl]benzamide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036254
Tcmsp
MOL005935
Sym Map
SMIT07623
Pub Chem
146515
Tcmbank
TCMBANKIN025252
Etcm Ingredient
N-[6-(9-acridinylamino)hexyl]benzamide
Itcmdb Generated
ITX-INGREDIENT-12CC91B07931
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C26H27N3O/c30-26(20-12-4-3-5-13-20)28-19-11-2-1-10-18-27-25-21-14-6-8-16-23(21)29-24-17-9-7-15-22(24)25/h3-9,12-17H,1-2,10-11,18-19H2,(H,27,29)(H,28,30)
Mol Wt
397.522
Mol Log P
5.790300000000005
Version
v1,v2
In Ch Ikey
JTYVPRRAWICLKB-UHFFFAOYSA-N
Ob Score
41.70341.70325941.70325945
Suppress
0
Num Hdonors
2
Drug Likeness
0.278
Num Hacceptors
3
Isomeric Smiles
C1=CC=C(C=C1)C(=O)NCCCCCCNC2=C3C=CC=CC3=NC4=CC=CC=C42
Molecule Weight
397.56
Canonical Smiles
C1=CC=C(C=C1)C(=O)NCCCCCCNC2=C3C=CC=CC3=NC4=CC=CC=C42
Molecular Weight
397.220
Molecular Weight
397.56
Molecular Formula
C26H27N3O
Molecular Formula
C26H27N3O
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.845
Quantitative Estimate Of Drug Likeness（Qed）
0.311