CHEMBL300451 [201949]
CHEMBL300451
| SMILES | CCCCc1nc2cccc(CC(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
| InChIKey | UBJNXXQPJTWYNV-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Log P | 5.380 |
| Molecular weight (Da) | 494.2 |
| 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 |
CHEMBL300451
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