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BioLiP Library

PDB CCD ID: A2J
Number of entries in BioLiP: 1
Chemical formula: C9 H5 F3 N2 O
InChI: InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
InChIKey: NOGLKXWLUDJZDQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c21c(cccc1)NC(=O)C(=N2)C(F)(F)F
OpenEye OEToolkits 2.0.6c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F
CACTVS 3.385FC(F)(F)C1=Nc2ccccc2NC1=O
Name:3-(trifluoromethyl)quinoxalin-2(1H)-one
ChEMBL: CHEMBL1463512
ZINC: ZINC000008873813
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)(download the PDF file).
  • 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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