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BioLiP

PDB CCD ID: M3F
Number of entries in BioLiP: 2
Chemical formula: C14 H9 F3 N2 O
InChI: InChI=1S/C14H9F3N2O/c1-7-6-10(14(15,16)17)18-12-11(7)8-4-2-3-5-9(8)13(20)19-12/h2-6H,1H3,(H,18,19,20)
InChIKey: DRKNNRNHSWAINH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c3nc1c(c2c(C(=O)N1)cccc2)c(c3)C
OpenEye OEToolkits 1.7.0Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F
CACTVS 3.370Cc1cc(nc2NC(=O)c3ccccc3c12)C(F)(F)F
Name:1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one
ZINC: ZINC000012610356
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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