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BioLiP

PDB CCD ID: 24B
Number of entries in BioLiP: 2
Chemical formula: C7 H6 F2 O
InChI: InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey: NIJZBWHOHNWJBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCc1ccc(F)cc1F
OpenEye OEToolkits 1.5.0c1cc(c(cc1F)F)CO
ACDLabs 10.04Fc1cc(F)ccc1CO
Name:(2,4-DIFLUOROPHENYL)METHANOL;
2,4-DIFLUOROBENZYL ALCOHOL 2,4-DIFLUORO-1-(HYDROXYMETHYL)BENZENE
DrugBank: DB04448
ZINC: ZINC000000409278
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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