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SummaryGeometryRelated PDB entries

IK7

Summary
Name:Ridinilazole
Synonyms:2-pyridin-4-yl-5-(2-pyridin-4-yl-1H-benzimidazol-5-yl)-1H-benzimidazole
Formula:C24 H16 N6
Formal charge:0
Formula weight:388.424 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-pyridin-4-yl-5-(2-pyridin-4-yl-1~{H}-benzimidazol-5-yl)-1~{H}-benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30)
InChIKeyInChI1.06UHQFBTAJFNVZIV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[nH]1c2ccc(cc2nc1c3ccncc3)c4ccc5[nH]c(nc5c4)c6ccncc6
SMILESCACTVS3.385[nH]1c2ccc(cc2nc1c3ccncc3)c4ccc5[nH]c(nc5c4)c6ccncc6
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cc1c3ccc4c(c3)nc([nH]4)c5ccncc5)nc([nH]2)c6ccncc6
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1c3ccc4c(c3)nc([nH]4)c5ccncc5)nc([nH]2)c6ccncc6

222624

数据于2024-07-17公开中

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