598242

Source:http://linkedlifedata.com/resource/chembl/compound/598242

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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/C16H19N3OS2/c20-13-8-22-15(18-13)19-14-17-12(7-21-14)16-4-9-1-10(5-16)3-11(2-9)6-16/h7,9-11H,1-6,8H2,(H,17,18,19,20)
chemicalCompound:standardIn...	ZKIDJLUQSHGJIX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1CS\C(=N\c2nc(cs2)C34CC5CC(CC(C5)C3)C4)\N1
chemicalCompound:molecularF...	C16H19N3OS2
chemicalCompound:moleculeId	598242
chemicalCompound:mwFreebase	333.472
chemicalCompound:alogp	3.071
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	107.89
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.995
chemicalCompound:acdLogP	4.785
chemicalCompound:acdLogD	4.785
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	333.472
chemicalCompound:acdMostBpk...	2.656
chemicalCompound:chemblId	CHEMBL606911
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:698242
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:3133162, activity:3133174, activity:3133186, activity:3133198, activity:3133210, activity:3133222, activity:3133234, activity:3133246, activity:3133258, activity:3133270, activity:3133282, activity:3133294, activity:3133306, activity:3133318, activity:3133330, activity:3133342, activity:3133343, activity:3133356, activity:3133369, activity:3133382, activity:3133395, activity:3133408, activity:3133421, activity:3133434, activity:3133447, activity:3133460, activity:3133473, activity:3133486, activity:3133499, activity:3133512, activity:3133525, activity:3133538