CHEMBL4228313 [330072]
CHEMBL4228313
| SMILES | COc1c(OCCOCCN=[N+]=[N-])cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |
| InChIKey | RMONSBKTGUYCFT-XMMPIXPASA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 13 |
| Log P | 4.528 |
| Molecular weight (Da) | 472.2 |
| Stereochemistry info | full |
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 |
CHEMBL4228313
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