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BioLiP

PDB CCD ID: TFC
Number of entries in BioLiP: 1
Chemical formula: C11 H19 F3 O S
InChI: InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
InChIKey: WMQHRXUKAYSPPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(F)C(=O)CSCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCSCC(=O)C(F)(F)F
Name:1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE
ChEMBL: CHEMBL89506
DrugBank: DB08612
ZINC: ZINC000034803731
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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