01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 14
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Thalphenine
- Molecular Formula
- C21H22NO4+
- Molecular Weight
- No data
- Canonical SMILES
- C[N+]1(CCC2=CC(=C3C4=C2C1CC5=CC6=C(C(=C54)CO3)OCO6)OC)C
- Isomeric SMILES
- C[N+]1(CCC2=CC(=C3C4=C2[C@@H]1CC5=CC6=C(C(=C54)CO3)OCO6)OC)C
- InChI
- InChI=1S/C21H22NO4/c1-22(2)5-4-11-7-15(23-3)21-19-17-12(6-14(22)18(11)19)8-16-20(26-10-25-16)13(17)9-24-21/h7-8,14H,4-6,9-10H2,1-3H3/q+1/t14-/m0/s1
- Oral Bioavailability
- 0.403
- Drug Likeness
- 0.739
- 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 target8 Targets
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