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| Ligand Name: 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1167 |
PubChem:
49867422
|
Synonym(s):
- q27464034
- 2-chloro-n-[(2s)-1-oxobutan-2-yl]-3-(trifluoromethyl)benzamide
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1234897 |
| Canonical SMILES: CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F |
| Standard InChI: InChI=1S/C12H11ClF3NO2/c1-2-7(6-18)17-11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-7H,2H2,1H3,(H,17,19)/t7-/m0/s1 |
| Molecular Formula: C12H11ClF3NO2 |
Mol. Weight: 293.04303 |
logP: 3.0661 |
| HBD: 1 | HBA: 2 |
| #Rotatable Bonds: 4 | TPSA: 46.17 |