1058802

Source:http://linkedlifedata.com/resource/chembl/compound/1058802

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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/C17H15NO3S/c1-22(20,21)18-15-8-5-12(6-9-15)13-7-10-16-14(11-13)3-2-4-17(16)19/h2-11,18-19H,1H3
chemicalCompound:standardIn...	AMXOIJDKDUVATI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)Nc1ccc(cc1)c2ccc3c(O)cccc3c2
chemicalCompound:molecularF...	C17H15NO3S
chemicalCompound:moleculeId	1058802
chemicalCompound:mwFreebase	313.371
chemicalCompound:alogp	2.925
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	74.78
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.316
chemicalCompound:acdLogP	3.579
chemicalCompound:acdLogD	3.529
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	313.371
chemicalCompound:chemblId	CHEMBL1644043
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1158802
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:5133104, activity:5133147, activity:5133152, activity:5133156, activity:5133157, activity:5133163, activity:5133165