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SummaryGeometryRelated PDB entries

A1MB1

Summary
Name:(2~{R})-~{N}-(2-methyl-5-piperazin-1-yl-phenyl)-2-(4-phenylpyrazol-1-yl)propanamide
Formula:C23 H27 N5 O
Formal charge:0
Formula weight:389.493 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-~{N}-(2-methyl-5-piperazin-1-yl-phenyl)-2-(4-phenylpyrazol-1-yl)propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H27N5O/c1-17-8-9-21(27-12-10-24-11-13-27)14-22(17)26-23(29)18(2)28-16-20(15-25-28)19-6-4-3-5-7-19/h3-9,14-16,18,24H,10-13H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyInChI1.06UMZUTVNKOWYFDZ-GOSISDBHSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](n1cc(cn1)c2ccccc2)C(=O)Nc3cc(ccc3C)N4CCNCC4
SMILESCACTVS3.385C[CH](n1cc(cn1)c2ccccc2)C(=O)Nc3cc(ccc3C)N4CCNCC4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1NC(=O)[C@@H](C)n2cc(cn2)c3ccccc3)N4CCNCC4
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1NC(=O)C(C)n2cc(cn2)c3ccccc3)N4CCNCC4

259351

PDB entries from 2026-09-09

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