1157689

Source:http://linkedlifedata.com/resource/chembl/compound/1157689

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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/C16H15N3O3S/c1-23(21,22)19-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)20/h2-10,17,19H,1H3,(H,18,20)/b14-10-
chemicalCompound:standardIn...	UGKCASUMDGHTLI-UVTDQMKNSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)Nc1ccc(N\C=C\2/C(=O)Nc3ccccc23)cc1
chemicalCompound:molecularF...	C16H15N3O3S
chemicalCompound:moleculeId	1157689
chemicalCompound:mwFreebase	329.374
chemicalCompound:alogp	0.983
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	95.68
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.036
chemicalCompound:acdLogP	1.402
chemicalCompound:acdLogD	1.381
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.374
chemicalCompound:acdMostBpk...	0.108
chemicalCompound:chemblId	CHEMBL1794058
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1257689
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:1306235, activity:1306236, activity:1306237, activity:8134637, activity:8134638, activity:8134639, activity:8134640, activity:8134641, activity:8134642, activity:8134643, activity:8134644, activity:8134645, activity:8134646, activity:8134647, activity:8134648, activity:8134649, activity:8134650, activity:8134651, activity:8134652, activity:8134653, activity:8134654, activity:8134655, activity:8134656, activity:8134657, activity:8134658, activity:8134659, activity:8134660, activity:8134661, activity:8134662, activity:8134663, activity:8134664, activity:8134665, activity:8134666, activity:8134667, activity:8134668, activity:8134669, activity:8134670, activity:8134671, activity:8134672, activity:8134673, activity:8134674, activity:8134675, activity:8134676, activity:8134677, activity:8134678, activity:8134679, activity:8134680, activity:8134681, activity:8134682, activity:8134683, activity:8134684, activity:8134685, activity:8134686, activity:8134687, activity:8134688, activity:8134689, activity:8134690, activity:8134691, activity:8134692, activity:8134693, activity:8134694, activity:8134695, activity:8134696, activity:8134697, activity:8134698, activity:8134699