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BioLiP

PDB CCD ID: C7
Number of entries in BioLiP: 3
Chemical formula: C17 H15 F3 N2 O3
InChI: InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-3-5-12(10-13)16(24)21-14-7-2-1-4-11(14)8-9-15(23)22-25/h1-7,10,25H,8-9H2,(H,21,24)(H,22,23)
InChIKey: QXXNUWFIASXMCG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F
CACTVS 3.385ONC(=O)CCc1ccccc1NC(=O)c2cccc(c2)C(F)(F)F
ACDLabs 12.01O=C(NO)CCc1c(cccc1)NC(c2cc(ccc2)C(F)(F)F)=O
Name:N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
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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