996208

Source:http://linkedlifedata.com/resource/chembl/compound/996208

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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/C14H13N3O2S/c1-8(2)13-16-17-14(20-13)15-12(18)11-7-9-5-3-4-6-10(9)19-11/h3-8H,1-2H3,(H,15,17,18)
chemicalCompound:standardIn...	BDGLMMJQDJGLHH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1nnc(NC(=O)c2oc3ccccc3c2)s1
chemicalCompound:molecularF...	C14H13N3O2S
chemicalCompound:moleculeId	996208
chemicalCompound:mwFreebase	287.337
chemicalCompound:alogp	3.073
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	96.26
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.371
chemicalCompound:acdLogP	3.767
chemicalCompound:acdLogD	3.732
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	287.337
chemicalCompound:acdMostBpk...	0.535
chemicalCompound:chemblId	CHEMBL1572324
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1096208
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:3819596, activity:3861235, activity:4087439, activity:4656954, activity:4704641, activity:4806931, activity:4943210, activity:5427585, activity:5502606, activity:5530376, activity:5579188, activity:5658398, activity:5870568, activity:6592801, activity:6758124, activity:7060126, activity:7066580, activity:7169460, activity:7380967, activity:7464644