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BioLiP Library

PDB CCD ID: A1L17
Number of entries in BioLiP: 1
Chemical formula: C16 H11 F3 O3
InChI: InChI=1S/C16H11F3O3/c1-22-14(20)10-6-4-8-12-13(10)9-5-2-3-7-11(9)15(12,21)16(17,18)19/h2-8,21H,1H3/t15-/m1/s1
InChIKey: STXAPIKTOCNBKD-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)c1cccc2c1-c3ccccc3C2(C(F)(F)F)O
OpenEye OEToolkits 2.0.7COC(=O)c1cccc2c1-c3ccccc3[C@@]2(C(F)(F)F)O
CACTVS 3.385COC(=O)c1cccc2c1c3ccccc3[C]2(O)C(F)(F)F
CACTVS 3.385COC(=O)c1cccc2c1c3ccccc3[C@]2(O)C(F)(F)F
Name:methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate
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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