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SummaryGeometryRelated PDB entries

FNI

Summary
Name:3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide
Formula:C22 H15 N5 O3
Formal charge:0
Formula weight:397.386 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide
OpenEye OEToolkits1.7.03-[(5-hydroxynaphthalen-2-yl)amino]-N-pyrimidin-4-yl-furo[2,3-c]pyridine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ncncc1)c3oc2cnccc2c3Nc5cc4cccc(O)c4cc5
SMILES_CANONICALCACTVS3.370Oc1cccc2cc(Nc3c(oc4cnccc34)C(=O)Nc5ccncn5)ccc12
SMILESCACTVS3.370Oc1cccc2cc(Nc3c(oc4cnccc34)C(=O)Nc5ccncn5)ccc12
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5
SMILESOpenEye OEToolkits1.7.0c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5
InChIInChI1.03InChI=1S/C22H15N5O3/c28-17-3-1-2-13-10-14(4-5-15(13)17)26-20-16-6-8-23-11-18(16)30-21(20)22(29)27-19-7-9-24-12-25-19/h1-12,26,28H,(H,24,25,27,29)
InChIKeyInChI1.03AHLQDZCJPCLDJM-UHFFFAOYSA-N

224931

PDB entries from 2024-09-11

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