CHEMBL5991212 [442825]
CHEMBL5991212
| SMILES | O=C1N=C(N2CCC3(CC2)OC(=O)c2ccccc23)S/C1=C(/CO)c1ccc(Cl)nc1 |
| InChIKey | KPDFDNDCTBBFGZ-SDXDJHTJSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Log P | 3.230 |
| Molecular weight (Da) | 455.1 |
| Stereochemistry info | unspecified |
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 |
CHEMBL5991212
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