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BioLiP

PDB CCD ID: T21
Number of entries in BioLiP: 4
Chemical formula: C14 H8 F3 N O2
InChI: InChI=1S/C14H8F3NO2/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19)
InChIKey: ICVXPLDIRPNIOG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O
ACDLabs 12.01C3=Cc2c(cc(c1cccc(C(F)(F)F)c1)o2)C(N3)=O
CACTVS 3.385FC(F)(F)c1cccc(c1)c2oc3C=CNC(=O)c3c2
Name:2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one
ZINC: ZINC000002531965
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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