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| Ligand Name: 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB503 |
PubChem:
124969
|
Synonym(s):
- ac-phe-cf3
- dtxsid30926183
- n-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)ethanimidic acid
- db07380
- trifluoro(n-acetyl-l-phenylalanyl)methane
- q27096600
- n-[(1s)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]acetamide
- (s)-n-(3,3,3-trifluoro-2-oxo-1-(phenylmethyl)propyl)acetamide
- acetamide, n-(3,3,3-trifluoro-2-oxo-1-(phenylmethyl)propyl)-, (s)-
show 8 synonym(s)
|
| DrugBank: DB07380 |
ChEMBL: CHEMBL1231015 |
| Canonical SMILES: CC(=O)N[C@H](C(=O)C(F)(F)F)Cc1ccccc1 |
| Standard InChI: InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1 |
| Molecular Formula: C12H12F3NO2 |
Mol. Weight: 259.082 |
logP: 1.8652 |
| HBD: 1 | HBA: 2 |
| #Rotatable Bonds: 4 | TPSA: 46.17 |