954441

Source:http://linkedlifedata.com/resource/chembl/compound/954441

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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/C21H22ClN3O4S2/c1-13-20(26)24-18-12-17(6-7-19(18)30-13)31(28,29)25-10-8-14(9-11-25)21(27)23-16-4-2-15(22)3-5-16/h2-7,12-14H,8-11H2,1H3,(H,23,27)(H,24,26)
chemicalCompound:standardIn...	LHWHQLKTFGYSDZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N3CCC(CC3)C(=O)Nc4ccc(Cl)cc4
chemicalCompound:molecularF...	C21H22ClN3O4S2
chemicalCompound:moleculeId	954441
chemicalCompound:mwFreebase	480
chemicalCompound:alogp	2.7
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	129.25
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.264
chemicalCompound:acdLogP	4.626
chemicalCompound:acdLogD	4.626
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	480
chemicalCompound:acdMostBpk...	0.223
chemicalCompound:chemblId	CHEMBL1530557
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1054441
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:3788303, activity:3845075, activity:3852586, activity:4101600, activity:4741284, activity:4936088, activity:4991960, activity:5039746, activity:5565766, activity:5650713, activity:5660664, activity:5773780, activity:5901859, activity:5974585, activity:5981265, activity:5983732, activity:6694287, activity:6846353, activity:6847476, activity:6880586, activity:6936763, activity:6959445, activity:7055965, activity:7077477, activity:7086117, activity:7227170, activity:7264233, activity:8287430, activity:10324077, activity:10621234