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SummaryGeometryRelated PDB entries

HTJ

Summary
Name:6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:C19 H14 N4 O2
Formal charge:0
Formula weight:330.34 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
OpenEye OEToolkits1.7.06-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c4ccccc4
SMILES_CANONICALCACTVS3.370OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccccc4
SMILESCACTVS3.370OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O
InChIInChI1.03InChI=1S/C19H14N4O2/c24-19(25)15-10-17(14-4-2-1-3-5-14)22-18-16(15)11-21-23(18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,24,25)
InChIKeyInChI1.03KCTGBSZXRNRGOD-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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