01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Heptaphylline
- Molecular Formula
- C18H17NO2
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)C
- Isomeric SMILES
- CC(=CCC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)C
- InChI
- InChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3
- Oral Bioavailability
- 14.807
- Drug Likeness
- 0.553
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.