793397

Source:http://linkedlifedata.com/resource/chembl/compound/793397

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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/C19H20N2OS2/c1-5-12-21-17(22)15(24-18(21)23)10-11-16-19(2,3)13-8-6-7-9-14(13)20(16)4/h5-11H,1,12H2,2-4H3/b15-10+,16-11+
chemicalCompound:standardIn...	BNRSQCUOPLBUHF-RWPWKDLBSA-N
chemicalCompound:canonicalS...	CN1\C(=C\C=C/2\SC(=S)N(CC=C)C2=O)\C(C)(C)c3ccccc13
chemicalCompound:molecularF...	C19H20N2OS2
chemicalCompound:moleculeId	793397
chemicalCompound:mwFreebase	356.505
chemicalCompound:alogp	4.659
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	80.94
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.906
chemicalCompound:acdLogD	4.906
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	356.505
chemicalCompound:acdMostBpk...	0.685
chemicalCompound:chemblId	CHEMBL1369513
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:893397
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:3620831, activity:3673638, activity:3768929, activity:3942615, activity:3985114, activity:3996302, activity:4012455, activity:4205000, activity:4537824, activity:4591878, activity:4693409, activity:4703890, activity:4754069, activity:4763364, activity:4839488, activity:4888490, activity:4909980, activity:5352428, activity:5396457, activity:5501915, activity:5510296, activity:5537370, activity:5566722, activity:5568200, activity:5640255, activity:5695348, activity:5702152, activity:5795878, activity:5963697, activity:5984844, activity:6585479, activity:6603960, activity:6735796, activity:6763797, activity:6845864, activity:7000023, activity:7025306, activity:7203928, activity:9795314, activity:10556163