CHEMBL3606026 [241473]
CHEMBL3606026
| SMILES | Cc1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)[n+]2c(c1CNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 |
| InChIKey | QKPRSYRLGAJFME-UHFFFAOYSA-O |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Log P | 3.214 |
| Molecular weight (Da) | 504.2 |
| 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 |
CHEMBL3606026
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