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| Ligand Name: 3-(2-cyano-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1164 |
PubChem:
52949393
|
Synonym(s):
- chembl1271069
- bdbm50328877
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1271069 |
| Canonical SMILES: CCCc1cc(nc(n1)C#N)-c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C |
| Standard InChI: InChI=1S/C18H17F3N4O/c1-4-5-14-9-15(24-16(10-22)23-14)11-6-12(17(26)25(2)3)8-13(7-11)18(19,20)21/h6-9H,4-5H2,1-3H3 |
| Molecular Formula: C18H17F3N4O |
Mol. Weight: 362.13544 |
logP: 3.68838 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 4 | TPSA: 69.88 |