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A1JFT

Summary
Name:6-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]-2-(phenylmethyl)phthalazin-1-one
Formula:C23 H19 N5 O4 S
Formal charge:0
Formula weight:461.493 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]-2-(phenylmethyl)phthalazin-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H19N5O4S/c1-27(2)19-10-11-20(22-21(19)25-32-26-22)33(30,31)17-8-9-18-16(12-17)13-24-28(23(18)29)14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3
InChIKeyInChI1.06BGLXKNGITCRQJR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc(c2nonc12)[S](=O)(=O)c3ccc4C(=O)N(Cc5ccccc5)N=Cc4c3
SMILESCACTVS3.385CN(C)c1ccc(c2nonc12)[S](=O)(=O)c3ccc4C(=O)N(Cc5ccccc5)N=Cc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)c1ccc(c2c1non2)S(=O)(=O)c3ccc4c(c3)C=NN(C4=O)Cc5ccccc5
SMILESOpenEye OEToolkits2.0.7CN(C)c1ccc(c2c1non2)S(=O)(=O)c3ccc4c(c3)C=NN(C4=O)Cc5ccccc5

251801

PDB entries from 2026-04-08

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