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SummaryGeometryRelated PDB entries

7ZY

Summary
Name:1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea
Formula:C24 H20 N6 O2
Formal charge:0
Formula weight:424.455 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H20N6O2/c31-23-20(22-12-17-14-25-10-9-21(17)29-22)15-27-30(23)19-8-4-5-16(11-19)13-26-24(32)28-18-6-2-1-3-7-18/h1-12,14-15,29,31H,13H2,(H2,26,28,32)
InChIKeyInChI1.03YWSHOZUTPIGEGZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1n(ncc1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5ccccc5)c4
SMILESCACTVS3.385Oc1n(ncc1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5ccccc5)c4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O

218853

PDB entries from 2024-04-24

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