CHEMBL158330 [104813]
CHEMBL158330
| SMILES | COc1cc(/C=N/NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C(C)C)cc1 |
| InChIKey | RQGINDWJDGDQGD-MZJWZYIUSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Log P | 4.784 |
| Molecular weight (Da) | 493.2 |
| Stereochemistry info | unspecified |
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 |
CHEMBL158330
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