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BioLiP

PDB CCD ID: IFP
Number of entries in BioLiP: 9
Chemical formula: C6 H4 F3 N3
InChI: InChI=1S/C6H4F3N3/c1-3-2-11-5(6(7,8)9)12-4(3)10/h2,10H,1H2
InChIKey: YKFRUALXTUDSBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341FC(F)(F)C1=NC(=N)C(=C)C=N1
ACDLabs 10.04FC(F)(F)C=1N=CC(=C)/C(=[N@H])N=1
OpenEye OEToolkits 1.5.0C=C1C=NC(=NC1=N)C(F)(F)F
Name:2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE;
4-IMINO-5-METHIDYL-2-TRIFLUOROMETHYLPYRIMIDINE
DrugBank: DB02885
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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