427136

Source:http://linkedlifedata.com/resource/chembl/compound/427136

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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/C13H15N3O2S/c1-19(17,18)16-12-4-2-3-9-10(12)5-6-11(9)13-14-7-8-15-13/h2-4,7-8,11,16H,5-6H2,1H3,(H,14,15)
chemicalCompound:standardIn...	QAFWYWHBAHTELS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)Nc1cccc2C(CCc12)c3ncc[nH]3
chemicalCompound:molecularF...	C13 H15 N3 O2 S
chemicalCompound:moleculeId	427136
chemicalCompound:mwFreebase	277.342
chemicalCompound:alogp	1.165
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	83.22
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.872
chemicalCompound:acdLogP	0.462
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	277.342
chemicalCompound:acdMostBpk...	7.363
chemicalCompound:chemblId	CHEMBL257800
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:527136
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:2165237, activity:2165264, activity:2165291, activity:2165318, activity:2165354