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SummaryGeometryRelated PDB entries

JY7

Summary
Name:8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline
Formula:C17 H14 F N5 O
Formal charge:0
Formula weight:323.324 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline
OpenEye OEToolkits2.0.68-fluoranyl-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)pyrazolo[3,4-c]cinnoline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1nc3n(nc(c3c2cc(cc(c12)OC)F)c4ccncc4C)C
InChIInChI1.03InChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3
InChIKeyInChI1.03BEHIYTQDLXFKJV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(F)cc2c1nnc3n(C)nc(c4ccncc4C)c23
SMILESCACTVS3.385COc1cc(F)cc2c1nnc3n(C)nc(c4ccncc4C)c23
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F
SMILESOpenEye OEToolkits2.0.6Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F

222415

PDB entries from 2024-07-10

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