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O9M

Summary
Name:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
Formula:C18 H15 F N4 O3 S
Formal charge:0
Formula weight:386.4 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
OpenEye OEToolkits2.0.72-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-pyrimidin-2-yl-benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)n3
InChIInChI1.03InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24)
InChIKeyInChI1.03ZEILGPBOAJFIRQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ncccn3
SMILESCACTVS3.385Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ncccn3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3

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PDB entries from 2024-07-10

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