CHEMBL147044 [82705]
CHEMBL147044
| SMILES | CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1 |
| InChIKey | DFIQEYNYBQJLCL-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Log P | 2.976 |
| Molecular weight (Da) | 401.3 |
| Stereochemistry info | unspecified |
Database connections
| Structure pdb | 7U2K |
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 |
CHEMBL147044
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
Database connections
| Structure pdb | 7U2K |