140233

Source:http://linkedlifedata.com/resource/chembl/compound/140233

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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/C14H16N2OS/c1-9(2)10-3-5-11(6-4-10)16-14(17)13-12(15-16)7-8-18-13/h3-6,9,17H,7-8H2,1-2H3
chemicalCompound:standardIn...	GEMHDIQHMOFDDN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc(cc1)n2nc3CCSc3c2O
chemicalCompound:molecularF...	C14 H16 N2 O S
chemicalCompound:moleculeId	140233
chemicalCompound:mwFreebase	260.355
chemicalCompound:alogp	3.891
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.35
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.617
chemicalCompound:acdLogP	2.529
chemicalCompound:acdLogD	2.314
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	260.355
chemicalCompound:acdMostBpk...	3.073
chemicalCompound:chemblId	CHEMBL315456
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:240233
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:281377, activity:281378, activity:281379, activity:281380, activity:281381, activity:281382, activity:281383, activity:281384, activity:281385, activity:281386, activity:281387, activity:281388, activity:281389