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RXE

Summary
Name:~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
Synonyms:KN2
Formula:C23 H22 Br4 Cl2 N4 O2
Formal charge:0
Formula weight:776.968 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H22Br4Cl2N4O2/c24-18-19(25)21(27)23-22(20(18)26)32-12-33(23)10-2-1-8-30-16(34)5-6-17(35)31-9-7-13-3-4-14(28)15(29)11-13/h3-4,11-12H,1-2,5-10H2,(H,30,34)(H,31,35)
InChIKeyInChI1.03HHGOOXRIHBVNFX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(CCNC(=O)CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)cc1Cl
SMILESCACTVS3.385Clc1ccc(CCNC(=O)CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)cc1Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl

224931

PDB entries from 2024-09-11

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