363582

Source:http://linkedlifedata.com/resource/chembl/compound/363582

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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/C18H17N3O2S/c22-18(21-23)17-9-8-16(24-17)15-7-6-14(12-20-15)11-19-10-13-4-2-1-3-5-13/h1-9,12,19,23H,10-11H2,(H,21,22)
chemicalCompound:standardIn...	OPIYGGWYEOSIPY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ONC(=O)c1ccc(s1)c2ccc(CNCc3ccccc3)cn2
chemicalCompound:molecularF...	C18 H17 N3 O2 S
chemicalCompound:moleculeId	363582
chemicalCompound:mwFreebase	339.411
chemicalCompound:alogp	3.007
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	102.49
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.655
chemicalCompound:acdLogP	1.297
chemicalCompound:acdLogD	0.93
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	339.411
chemicalCompound:acdMostBpk...	7.354
chemicalCompound:chemblId	CHEMBL216884
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:463582
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:1792664, activity:1792667, activity:1792670, activity:1792681, activity:1792710, activity:1792713, activity:1792718, activity:1792721, activity:1792724, activity:1792727, activity:1792730, activity:1792733, activity:1792736, activity:1792739, activity:1792742, activity:1792745, activity:1792748, activity:1792751, activity:1792752, activity:1792761, activity:1792790, activity:1792809, activity:1792821, activity:1792824, activity:1792827, activity:1792830