139920

Source:http://linkedlifedata.com/resource/chembl/compound/139920

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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/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3
chemicalCompound:standardIn...	MBDLCGUEJPOKQA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc(cc1)n2nc3CCSc3c2O
chemicalCompound:molecularF...	C15 H18 N2 O S
chemicalCompound:moleculeId	139920
chemicalCompound:mwFreebase	274.381
chemicalCompound:alogp	4.098
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.35
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.652
chemicalCompound:acdLogP	2.94
chemicalCompound:acdLogD	2.737
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	274.381
chemicalCompound:acdMostBpk...	3.133
chemicalCompound:chemblId	CHEMBL86851
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:239920
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:303458, activity:303459, activity:303460, activity:303461, activity:303462, activity:303463, activity:303464, activity:303465, activity:303466, activity:303467, activity:303468, activity:303469, activity:303470