992471

Source:http://linkedlifedata.com/resource/chembl/compound/992471

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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/C15H14N2O2S/c1-10-15(11-5-2-3-6-13(11)16-10)12(9-17(18)19)14-7-4-8-20-14/h2-8,12,16H,9H2,1H3
chemicalCompound:standardIn...	OXVDVBZCVBPDOM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1[nH]c2ccccc2c1C(C[N+](=O)[O-])c3cccs3
chemicalCompound:molecularF...	C15H14N2O2S
chemicalCompound:moleculeId	992471
chemicalCompound:mwFreebase	286.349
chemicalCompound:alogp	3.796
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	89.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.604
chemicalCompound:acdLogP	3.223
chemicalCompound:acdLogD	2.892
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.349
chemicalCompound:chemblId	CHEMBL1568587
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1092471
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:3664288, activity:3973905, activity:4305365, activity:4497066, activity:4581018, activity:4653872, activity:4819411, activity:4945153, activity:5481160, activity:5771235, activity:5850845, activity:5932732, activity:6522300, activity:6949422, activity:7179589, activity:7335385, activity:7521389