CHEMBL1097394 [23188]
CHEMBL1097394
| SMILES | Clc1ccc(CNCCC2C[C@@H]2c2c[nH]cn2)cc1 |
| InChIKey | BOQXUEKBVIXPKQ-PYMCNQPYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Log P | 3.346 |
| Molecular weight (Da) | 275.1 |
| Stereochemistry info | partial |
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 |
CHEMBL1097394
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