Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63439
- Core Entity Id
- 110457
- Source Entity Count
- 1
- Preferred Name
- Dapsone
- Name En
- Pubchem Id
- 2955
- Smiles Canonical
- C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
- Molecular Formula
- C12H12N2O2S
- Molecular Weight
- 248.0600
- Inchikey
- MQJKPEGWNLWLTK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 94.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dapsone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dapsone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
dapsone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23308
Etcm Ingredient
dapsone
Itcmdb Generated
ITX-INGREDIENT-C013F79E27EAITX-INGREDIENT-DE2CB29132E3
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecular Weight
248.060
Molecular Formula
C12H12N2O2S
Fda Maximum Daily Dose (Fdamdd)
0.325
Quantitative Estimate Of Drug Likeness（Qed）
0.792