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5XF

Summary
Name:~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide
Formula:C21 H24 N4 O3
Formal charge:0
Formula weight:380.44 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.4~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
InChIKeyInChI1.03QCIJLRJBZDBVDB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCC4
SMILESCACTVS3.385COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCC4
SMILES_CANONICALOpenEye OEToolkits2.0.4CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC
SMILESOpenEye OEToolkits2.0.4CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC

219140

PDB entries from 2024-05-01

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