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A1JFN

Summary
Name:2-(phenylmethyl)-6-(phenylsulfonyl)phthalazin-1-one
Formula:C21 H16 N2 O3 S
Formal charge:0
Formula weight:376.428 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(phenylmethyl)-6-(phenylsulfonyl)phthalazin-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H16N2O3S/c24-21-20-12-11-19(27(25,26)18-9-5-2-6-10-18)13-17(20)14-22-23(21)15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyInChI1.06QCDDMJYCFMMEHW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N(Cc2ccccc2)N=Cc3cc(ccc13)[S](=O)(=O)c4ccccc4
SMILESCACTVS3.385O=C1N(Cc2ccccc2)N=Cc3cc(ccc13)[S](=O)(=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CN2C(=O)c3ccc(cc3C=N2)S(=O)(=O)c4ccccc4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2C(=O)c3ccc(cc3C=N2)S(=O)(=O)c4ccccc4

251801

PDB entries from 2026-04-08

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