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SummaryGeometryRelated PDB entries

C9G

Summary
Name:2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one
Formula:C17 H13 N5 O2
Formal charge:0
Formula weight:319.317 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one
OpenEye OEToolkits2.0.62-[1-(4-hydroxyphenyl)-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3cc(c2cn(c1ccc(cc1)O)nn2)nc4C(N(C)C=Cc34)=O
InChIInChI1.03InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3
InChIKeyInChI1.03KANBQBQJUNGFMT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)cc4
SMILESCACTVS3.385CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.6CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O
SMILESOpenEye OEToolkits2.0.6CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O

218196

PDB entries from 2024-04-10

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