CHEMBL125533 [41005]
CHEMBL125533
| SMILES | CCCCCCN1C(=O)/C(=C/c2cnc(CCCC)n2Cc2ccc(C(=O)OC)cc2)N(Cc2csc(C)n2)C1=O |
| InChIKey | CPWUXZUEKSCXQA-PKAZHMFMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 14 |
| Log P | 6.211 |
| Molecular weight (Da) | 577.3 |
| 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 |
CHEMBL125533
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