738535

Source:http://linkedlifedata.com/resource/chembl/compound/738535

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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/C17H16ClN3O4S/c1-24-15-8-3-11(9-16(15)25-2)14-10-17(19)21(20-14)26(22,23)13-6-4-12(18)5-7-13/h3-10H,19H2,1-2H3
chemicalCompound:standardIn...	GZFBCKOHLMVQMI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1OC)c2cc(N)n(n2)S(=O)(=O)c3ccc(Cl)cc3
chemicalCompound:molecularF...	C17H16ClN3O4S
chemicalCompound:moleculeId	738535
chemicalCompound:mwFreebase	393.845
chemicalCompound:alogp	3.587
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	104.82
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.408
chemicalCompound:acdLogD	1.408
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	393.845
chemicalCompound:chemblId	CHEMBL1314651
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:838535
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:3941446, activity:4403461, activity:4909683, activity:5511863, activity:5566672, activity:5858690, activity:5976966