806500

Source:http://linkedlifedata.com/resource/chembl/compound/806500

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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/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)
chemicalCompound:standardIn...	JQXFFLCVJXGBDY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1nc(SCc2ccc(Cl)cc2)nc(c3cccs3)c1C#N
chemicalCompound:molecularF...	C16H10ClN3OS2
chemicalCompound:moleculeId	806500
chemicalCompound:mwFreebase	359.853
chemicalCompound:alogp	5.438
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	123.34
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.556
chemicalCompound:acdLogD	0.459
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	359.853
chemicalCompound:acdMostBpk...	4.427
chemicalCompound:chemblId	CHEMBL1382616
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:906500
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:3607387, activity:4077661, activity:4078955, activity:4331489, activity:4385983, activity:4416128, activity:4481137, activity:4563553, activity:4627679, activity:4825177, activity:4904879, activity:4921887, activity:4946450, activity:4984613, activity:5024344, activity:5359071, activity:5503167, activity:5505578, activity:5540941, activity:5565182, activity:5571698, activity:5577344, activity:5650534, activity:5789024, activity:5791583, activity:5855823, activity:5882687, activity:5965574, activity:5973891, activity:5983553, activity:6527593, activity:6931690, activity:6966869, activity:7039456, activity:7046433, activity:7084655, activity:7454732