941582

Source:http://linkedlifedata.com/resource/chembl/compound/941582

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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/C16H14N4O3S2/c17-25(22,23)12-5-3-4-11(8-12)20-15(21)9-24-16-13-6-1-2-7-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21)(H2,17,22,23)
chemicalCompound:standardIn...	LXKQZJATUNGSQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1cccc(NC(=O)CSc2ncnc3ccccc23)c1
chemicalCompound:molecularF...	C16H14N4O3S2
chemicalCompound:moleculeId	941582
chemicalCompound:mwFreebase	374.437
chemicalCompound:alogp	1.81
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	148.72
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.005
chemicalCompound:acdLogP	1.65
chemicalCompound:acdLogD	1.649
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	374.437
chemicalCompound:acdMostBpk...	1.04
chemicalCompound:chemblId	CHEMBL1517698
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1041582
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:5076005, activity:5413953, activity:5570646, activity:5613236, activity:5857364, activity:7054606, activity:7057337, activity:7226195, activity:7313347, activity:8314016