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BioLiP

PDB CCD ID: RF2
Number of entries in BioLiP: 1
Chemical formula: C14 H10 F N3
InChI: InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKey: KMGPJKOKSYGMJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3
ACDLabs 10.04Fc3ccc(c2nnc(c1ccccc1)n2)cc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F
Name:3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole
DrugBank: DB08470
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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