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SummaryGeometryRelated PDB entries

JXS

Summary
Name:7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:C16 H15 N7 O
Formal charge:0
Formula weight:321.337 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
OpenEye OEToolkits2.0.67-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-1~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4
InChIInChI1.03InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)
InChIKeyInChI1.03WGMJNFFLMIILAZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1ccc(n1)c2cccc(COc3cc(N)nc4nn[nH]c34)c2
SMILESCACTVS3.385Cn1ccc(n1)c2cccc(COc3cc(N)nc4nn[nH]c34)c2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N
SMILESOpenEye OEToolkits2.0.6Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N

218853

PDB entries from 2024-04-24

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