CHEMBL561651 [392911]
CHEMBL561651
| SMILES | N=C(NC=C(c1ccccc1)c1ccccc1)NCCCc1c[nH]cn1 |
| InChIKey | LLFVTPXUSSZUQB-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 7 |
| Log P | 3.546 |
| Molecular weight (Da) | 345.2 |
| 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 |
CHEMBL561651
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