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KXR

Summary
Name:N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
Formula:C15 H13 F N4 O3
Formal charge:0
Formula weight:316.287 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
OpenEye OEToolkits2.0.7~{N}-[3-fluoranyl-5-[(2~{S})-4-oxidanylideneazetidin-2-yl]oxy-phenyl]-2-pyrimidin-5-yl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1
InChIInChI1.06InChI=1S/C15H13FN4O3/c16-10-2-11(4-12(3-10)23-15-5-14(22)20-15)19-13(21)1-9-6-17-8-18-7-9/h2-4,6-8,15H,1,5H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyInChI1.06SFHHIQYDZORTHQ-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(NC(=O)Cc2cncnc2)cc(O[C@H]3CC(=O)N3)c1
SMILESCACTVS3.385Fc1cc(NC(=O)Cc2cncnc2)cc(O[CH]3CC(=O)N3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(cc(cc1O[C@H]2CC(=O)N2)F)NC(=O)Cc3cncnc3
SMILESOpenEye OEToolkits2.0.7c1c(cc(cc1OC2CC(=O)N2)F)NC(=O)Cc3cncnc3

218853

PDB entries from 2024-04-24

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