725499

Source:http://linkedlifedata.com/resource/chembl/compound/725499

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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/C16H14ClN3O3S/c1-2-23-11-7-9-12(10-8-11)24(21,22)20-16-15(17)18-13-5-3-4-6-14(13)19-16/h3-10H,2H2,1H3,(H,19,20)
chemicalCompound:standardIn...	YCAWSRFYBFUHRD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Cl
chemicalCompound:molecularF...	C16H14ClN3O3S
chemicalCompound:moleculeId	725499
chemicalCompound:mwFreebase	363.819
chemicalCompound:alogp	3.527
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.56
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.652
chemicalCompound:acdLogP	2.921
chemicalCompound:acdLogD	1.359
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	363.819
chemicalCompound:chemblId	CHEMBL1301615
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:825499
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:3809572, activity:4295385, activity:4327205, activity:4433488, activity:4558340, activity:4734869, activity:4909653, activity:5015675, activity:5470416, activity:5787093, activity:6624709, activity:7057500, activity:7183098, activity:7259142