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BioLiP

PDB CCD ID: R2I
Number of entries in BioLiP: 1
Chemical formula: C15 H14 F2 N2 O4 Ru2
InChI: InChI=1S/C13H10F2N2.2CH2O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*2-1-3;;/h1-8H,9H2;2*1H2;;/q3*-2;2*+3
InChIKey: TVQMJLRZOPYFSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)N2CN(c3ccc(F)cc3)[Ru]45OCO[Ru]24OCO5
OpenEye OEToolkits 3.1.0.0c1cc(ccc1N2CN([Ru]34[Ru]2(OCO3)OCO4)c5ccc(cc5)F)F
Name:9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
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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