BMS-681
BMS-681
SMILES | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C |
InChIKey | NUJWKQSEJDYCDB-GNRVTEMESA-N |
Chemical Properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 491.3 |
Database connections
Structure pdb | 5T1A |
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 |
BMS-681
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Clinical Trials
Phase I
0
Phase II
0
Phase III
0
Approved
No
Database connections
Structure pdb | 5T1A |