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SummaryGeometryRelated PDB entries

R93

Summary
Name:5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide
Formula:C27 H20 Cl N3 O4
Formal charge:0
Formula weight:485.918 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide
OpenEye OEToolkits2.0.65-[[6-chloranyl-5-[4-(2-hydroxyphenyl)phenyl]-1~{H}-benzimidazol-2-yl]oxy]-2-methyl-~{N}-oxidanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NO)c1cc(ccc1C)Oc2nc3c(n2)cc(c(c3)Cl)c5ccc(c4c(cccc4)O)cc5
InChIInChI1.03InChI=1S/C27H20ClN3O4/c1-15-6-11-18(12-20(15)26(33)31-34)35-27-29-23-13-21(22(28)14-24(23)30-27)17-9-7-16(8-10-17)19-4-2-3-5-25(19)32/h2-14,32,34H,1H3,(H,29,30)(H,31,33)
InChIKeyInChI1.03YSNIPFQCRHRGSO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(Oc2[nH]c3cc(Cl)c(cc3n2)c4ccc(cc4)c5ccccc5O)cc1C(=O)NO
SMILESCACTVS3.385Cc1ccc(Oc2[nH]c3cc(Cl)c(cc3n2)c4ccc(cc4)c5ccccc5O)cc1C(=O)NO
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl

218500

PDB entries from 2024-04-17

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