01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Celacinnine
- Molecular Formula
- C25H31N3O2
- Molecular Weight
- No data
- Canonical SMILES
- C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3
- Isomeric SMILES
- C1CCN(CCCNC(=O)C[C@H](NC1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3
- InChI
- InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.768
- 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.
Active Targets
ingredient target4 Targets