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BioLiP

PDB CCD ID: FKO
Number of entries in BioLiP: 1
Chemical formula: C19 H12 Cl F N2 O
InChI: InChI=1S/C19H12ClFN2O/c20-15-6-2-1-5-13(15)19-14-10-9-12(11-17(14)22-23-19)24-18-8-4-3-7-16(18)21/h1-11H,(H,22,23)
InChIKey: QDPZIIDGFJHLRY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl
ACDLabs 10.04Fc4ccccc4Oc3ccc1c(nnc1c2ccccc2Cl)c3
CACTVS 3.341Fc1ccccc1Oc2ccc3c([nH]nc3c2)c4ccccc4Cl
Name:3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole
ZINC: ZINC000036423067
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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