428831

Source:http://linkedlifedata.com/resource/chembl/compound/428831

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C9H12ClN3O4S2/c1-5-12-7-3-6(10)8(18(11,14)15)4-9(7)19(16,17)13(5)2/h3-5,12H,1-2H3,(H2,11,14,15)
chemicalCompound:standardIn...	QXIQPEOYODACBW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Nc2cc(Cl)c(cc2S(=O)(=O)N1C)S(=O)(=O)N
chemicalCompound:molecularF...	C9 H12 Cl N3 O4 S2
chemicalCompound:moleculeId	428831
chemicalCompound:mwFreebase	325.792
chemicalCompound:alogp	0.104
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	126.33
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.328
chemicalCompound:acdLogP	1.612
chemicalCompound:acdLogD	1.607
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	325.792
chemicalCompound:chemblId	CHEMBL260424
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:528831
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2162588, activity:2162600, activity:2162612, activity:2162624, activity:2162636, activity:2162648, activity:2162660, activity:2162672, activity:2162684, activity:2162696, activity:2162708, activity:2162720