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SummaryGeometryRelated PDB entries

WXF

Summary
Name:(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone
Formula:C12 H14 N4 O3
Formal charge:0
Formula weight:262.265 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone
OpenEye OEToolkits2.0.7[(2~{R})-2-methylmorpholin-4-yl]-(2-oxidanyl-3~{H}-imidazo[4,5-b]pyridin-7-yl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC1CN(CCO1)C(=O)c1ccnc2[NH]c(O)nc21
InChIInChI1.06InChI=1S/C12H14N4O3/c1-7-6-16(4-5-19-7)11(17)8-2-3-13-10-9(8)14-12(18)15-10/h2-3,7H,4-6H2,1H3,(H2,13,14,15,18)/t7-/m1/s1
InChIKeyInChI1.06HZXBKRVXTGQUNC-SSDOTTSWSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1CN(CCO1)C(=O)c2ccnc3[nH]c(O)nc23
SMILESCACTVS3.385C[CH]1CN(CCO1)C(=O)c2ccnc3[nH]c(O)nc23
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H]1CN(CCO1)C(=O)c2ccnc3c2nc([nH]3)O
SMILESOpenEye OEToolkits2.0.7CC1CN(CCO1)C(=O)c2ccnc3c2nc([nH]3)O

223532

PDB entries from 2024-08-07

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