CHEMBL2112221 [160105]
CHEMBL2112221
| SMILES | CN(C)CCN(C)CCNC(=O)c1cccn1S(=O)(=O)c1ccc(N/N=C(\S)NC2c3ccccc3CCc3ccccc32)c([N+](=O)[O-])c1 |
| InChIKey | QGTPDQUKWCFOHH-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 13 |
| Log P | 3.947 |
| Molecular weight (Da) | 704.3 |
| 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 |
CHEMBL2112221
Drug properties
| Molecular type | Lipid |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0