CHEMBL295639 [201314]
CHEMBL295639
| SMILES | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccn(C)c2)c1)OC |
| InChIKey | MRBAFOZMAFDOEQ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 25 |
| Log P | 6.738 |
| Molecular weight (Da) | 580.4 |
| 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 |
CHEMBL295639
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