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SummaryGeometryRelated PDB entries

A1LZY

Summary
Name:1-(4-fluorophenyl)-6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:C30 H29 F N4 O4
Formal charge:0
Formula weight:528.574 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-(4-fluorophenyl)-6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C30H29FN4O4/c1-4-19(5-2)27-26-23(30(36)37)17-25(33-28(26)35(34-27)22-13-11-21(31)12-14-22)38-16-15-24-18(3)39-29(32-24)20-9-7-6-8-10-20/h6-14,17,19H,4-5,15-16H2,1-3H3,(H,36,37)
InChIKeyInChI1.06JDOHALGTPNADID-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(CC)c1nn(c2ccc(F)cc2)c3nc(OCCc4nc(oc4C)c5ccccc5)cc(C(O)=O)c13
SMILESCACTVS3.385CCC(CC)c1nn(c2ccc(F)cc2)c3nc(OCCc4nc(oc4C)c5ccccc5)cc(C(O)=O)c13
SMILES_CANONICALOpenEye OEToolkits2.0.7CCC(CC)c1c2c(cc(nc2n(n1)c3ccc(cc3)F)OCCc4c(oc(n4)c5ccccc5)C)C(=O)O
SMILESOpenEye OEToolkits2.0.7CCC(CC)c1c2c(cc(nc2n(n1)c3ccc(cc3)F)OCCc4c(oc(n4)c5ccccc5)C)C(=O)O

250059

PDB entries from 2026-03-04

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