01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Quinicine
- Molecular Formula
- C20H24N2O2
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCNCC3C=C
- Isomeric SMILES
- COC1=CC2=C(C=CN=C2C=C1)C(=O)CC[C@@H]3CCNC[C@@H]3C=C
- InChI
- InChI=1S/C20H24N2O2/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3/t14-,15+/m0/s1
- Oral Bioavailability
- 75.443
- Drug Likeness
- 0.651
- 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.