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BioLiP

PDB CCD ID: V7M
Number of entries in BioLiP: 0
Chemical formula: C8 H9 F
InChI: InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKey: RCWIWNUVHNAUQC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)F)C
ACDLabs 12.01Cc1cc(cc(c1)C)F
CACTVS 3.385Cc1cc(C)cc(F)c1
Name:1-fluoro-3,5-dimethylbenzene
ZINC: ZINC000002169281
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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