CHEMBL154485 [100661]
CHEMBL154485
| SMILES | COc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 |
| InChIKey | JPCQGICVJNWEJT-AMVVHIIESA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Log P | 4.236 |
| Molecular weight (Da) | 496.1 |
| 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 |
CHEMBL154485
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