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BGE

Summary
Name:4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
Formula:C19 H21 N5 O
Formal charge:0
Formula weight:335.403 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H21N5O/c1-14-19(22-13-21-14)15-6-7-20-18(12-15)23-16-2-4-17(5-3-16)24-8-10-25-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyInChI1.03KJQAULYFYNEAHK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2
SMILESCACTVS3.385Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4
SMILESOpenEye OEToolkits2.0.6Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4

223532

PDB entries from 2024-08-07

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