916529

Source:http://linkedlifedata.com/resource/chembl/compound/916529

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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/C15H19N3S/c1-11(12-8-6-5-7-9-12)17-18-14-16-13(10-19-14)15(2,3)4/h5-10H,1-4H3,(H,16,18)
chemicalCompound:standardIn...	ODOWVDWRSHDFOA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=NNc1nc(cs1)C(C)(C)C)c2ccccc2
chemicalCompound:molecularF...	C15H19N3S
chemicalCompound:moleculeId	916529
chemicalCompound:mwFreebase	273.396
chemicalCompound:alogp	4.255
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	65.52
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.091
chemicalCompound:acdLogD	4.09
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	273.396
chemicalCompound:acdMostBpk...	5.007
chemicalCompound:chemblId	CHEMBL1492645
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1016529
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:3789096, activity:3813359, activity:3854928, activity:4108290, activity:4218850, activity:4400991, activity:4716373, activity:4911206, activity:5379983, activity:5440253, activity:5603074, activity:5676894, activity:5714398, activity:5814344, activity:5898959, activity:6683068, activity:7010130, activity:7078622, activity:7267859, activity:7424301