CHEMBL2005580 [145148]
CHEMBL2005580
| SMILES | CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccs3)c2=O)=C(C(=O)OCC)C1c1cccs1 |
| InChIKey | BMBQXCMFLGSXOJ-KAMYIIQDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Log P | 2.063 |
| Molecular weight (Da) | 488.1 |
| 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 |
CHEMBL2005580
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