CHEMBL1477993 [83370]
CHEMBL1477993
| SMILES | CCn1c(/C=C/N(C(C)=O)c2ccccc2)[n+](CCCS(=O)(=O)[O-])c2cc(Cl)c(Cl)cc21 |
| InChIKey | XWBJOIPCYVSAQD-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Log P | 4.215 |
| Molecular weight (Da) | 495.1 |
| 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 |
CHEMBL1477993
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