1002600

Source:http://linkedlifedata.com/resource/chembl/compound/1002600

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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/C13H10N4S2/c18-13-16-15-12(10-5-2-1-3-6-10)17(13)14-9-11-7-4-8-19-11/h1-9H,(H,16,18)
chemicalCompound:standardIn...	IPOYPASHMASOHF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Sc1nnc(c2ccccc2)n1N=Cc3cccs3
chemicalCompound:molecularF...	C13H10N4S2
chemicalCompound:moleculeId	1002600
chemicalCompound:mwFreebase	286.375
chemicalCompound:alogp	3.825
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	110.11
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.596
chemicalCompound:acdLogD	2.333
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.375
chemicalCompound:acdMostBpk...	6.545
chemicalCompound:chemblId	CHEMBL1578716
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1102600
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:3707006, activity:3908124, activity:4147210, activity:4278881, activity:4338145, activity:4788092, activity:4802547, activity:5346990, activity:5560055, activity:5586745, activity:5638349, activity:5697348, activity:6426860, activity:6820586, activity:7326341