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SummaryGeometryRelated PDB entries

2KR

Summary
Name:N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine
Formula:C19 H17 N5 O
Formal charge:0
Formula weight:331.371 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine
OpenEye OEToolkits1.9.2N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-5-methyl-pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1cccc2nc(OC)n(c12)c4ccc(Nc3ncc(cc3)C)cc4
InChIInChI1.03InChI=1S/C19H17N5O/c1-13-5-10-17(21-12-13)22-14-6-8-15(9-7-14)24-18-16(4-3-11-20-18)23-19(24)25-2/h3-12H,1-2H3,(H,21,22)
InChIKeyInChI1.03ZAIBUTICQXDSIC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1nc2cccnc2n1c3ccc(Nc4ccc(C)cn4)cc3
SMILESCACTVS3.385COc1nc2cccnc2n1c3ccc(Nc4ccc(C)cn4)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC
SMILESOpenEye OEToolkits1.9.2Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC

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건을2024-07-10부터공개중

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