620090

Source:http://linkedlifedata.com/resource/chembl/compound/620090

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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/C18H19N3O2S/c19-15-14-13(10-7-8-23-9-10)11-5-3-1-2-4-6-12(11)21-18(14)24-16(15)17(20)22/h7-9H,1-6,19H2,(H2,20,22)
chemicalCompound:standardIn...	ZQCKXIWNXAGQNH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)c1sc2nc3CCCCCCc3c(c4cocc4)c2c1N
chemicalCompound:molecularF...	C18H19N3O2S
chemicalCompound:moleculeId	620090
chemicalCompound:mwFreebase	341.427
chemicalCompound:alogp	3.342
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	123.38
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.038
chemicalCompound:acdLogD	5.029
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	341.427
chemicalCompound:acdMostBpk...	5.977
chemicalCompound:chemblId	CHEMBL1089331
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:720090
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:3252500