497742

Source:http://linkedlifedata.com/resource/chembl/compound/497742

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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/C15H13ClN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
chemicalCompound:standardIn...	RCWSBQCWRNEOFW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NNC(=O)c1[nH]c2ccc(cc2c1c3cccc(Cl)c3)S(=O)(=O)N
chemicalCompound:molecularF...	C15H13ClN4O3S
chemicalCompound:moleculeId	497742
chemicalCompound:mwFreebase	364.807
chemicalCompound:alogp	1.813
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	139.44
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.068
chemicalCompound:acdLogP	0.622
chemicalCompound:acdLogD	0.621
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	364.807
chemicalCompound:acdMostBpk...	2.801
chemicalCompound:chemblId	CHEMBL476813
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597742
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:2411074, activity:2411091, activity:2468274, activity:2468285, activity:2468295, activity:2468324, activity:2468343, activity:2468358, activity:2468373, activity:2468388, activity:2468403, activity:2468418, activity:2468433, activity:2468448, activity:2468463, activity:3254696, activity:3254728