CHEMBL4109532 [315944]
CHEMBL4109532
| SMILES | O=C(O)c1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 |
| InChIKey | YYFXPHNRFOKRDQ-NSISKUIASA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Log P | 4.172 |
| Molecular weight (Da) | 444.2 |
| 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 |
CHEMBL4109532
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