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GAX

Summary
Name:1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea
Formula:C19 H20 N6 O3 S2
Formal charge:0
Formula weight:444.531 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea
OpenEye OEToolkits1.5.03-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1-(1,3-thiazol-2-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1cccc(c1)S(=O)(=O)N3CCN(c2ncccc2)CC3)Nc4nccs4
SMILES_CANONICALCACTVS3.341O=C(Nc1sccn1)Nc2cccc(c2)[S](=O)(=O)N3CCN(CC3)c4ccccn4
SMILESCACTVS3.341O=C(Nc1sccn1)Nc2cccc(c2)[S](=O)(=O)N3CCN(CC3)c4ccccn4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4
SMILESOpenEye OEToolkits1.5.0c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4
InChIInChI1.03InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26)
InChIKeyInChI1.03NJPVZSIGDRLLTD-UHFFFAOYSA-N

248942

PDB entries from 2026-02-11

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