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BioLiP

PDB CCD ID: G1L
Number of entries in BioLiP: 2
Chemical formula: C12 H13 Cl F3 N O
InChI: InChI=1S/C12H13ClF3NO/c1-11(2,7-13)10(18)17-9-5-3-8(4-6-9)12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey: QCQZFHOGRCQNIH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(F)c1ccc(NC(=O)C(C)(C)CCl)cc1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F
Name:3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
ChEMBL: CHEMBL463588
DrugBank: DB07805
ZINC: ZINC000003104468
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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