CHEMBL5929231 [432579]
CHEMBL5929231
| SMILES | COc1cccc(CO/N=C(\C)c2ccc([C@@H]3CC[C@](N)(COP(=O)(O)O)C3)cc2)c1 |
| InChIKey | VBJGZOBKJONIMU-GVWIZHFKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Log P | 3.710 |
| Molecular weight (Da) | 448.2 |
| Stereochemistry info | partial |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL5929231
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0