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ZZK

Summary
Name:4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE
Formula:C19 H15 N3 O3
Formal charge:0
Formula weight:333.341 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide
OpenEye OEToolkits1.6.14-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)c1ccc(cc1)c4cc(c2cccc3OCOc23)cnc4N
SMILES_CANONICALCACTVS3.352NC(=O)c1ccc(cc1)c2cc(cnc2N)c3cccc4OCOc34
SMILESCACTVS3.352NC(=O)c1ccc(cc1)c2cc(cnc2N)c3cccc4OCOc34
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N
SMILESOpenEye OEToolkits1.6.1c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N
InChIInChI1.03InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
InChIKeyInChI1.03UBOGEBHIZSQBBD-UHFFFAOYSA-N

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PDB entries from 2024-04-24

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