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T20

Summary
Name:3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide
Formula:C26 H25 N5 O3
Formal charge:0
Formula weight:455.508 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide
OpenEye OEToolkits1.7.63-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=N(=O)c1cccc(c1)C(=O)Nc3nc4cc(ccc4n3c2ccccc2)CN5CCCCC5
InChIInChI1.03InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32)
InChIKeyInChI1.03IEOZVBDPTHRYGK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1c4ccccc4)c5cccc(c5)[N](=O)=O
SMILESCACTVS3.385O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1c4ccccc4)c5cccc(c5)[N](=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)N(=O)=O)CN5CCCCC5
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)N(=O)=O)CN5CCCCC5

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PDB entries from 2024-08-07

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