901383

Source:http://linkedlifedata.com/resource/chembl/compound/901383

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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/C18H24N6O2S/c1-18(2)9-12-13(10-26-18)27-16-14(12)15-20-11-21-24(15)17(22-16)19-3-4-23-5-7-25-8-6-23/h11H,3-10H2,1-2H3,(H,19,22)
chemicalCompound:standardIn...	JGKYKUDHYOJBST-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)Cc2c(CO1)sc3nc(NCCN4CCOCC4)n5ncnc5c23
chemicalCompound:molecularF...	C18H24N6O2S
chemicalCompound:moleculeId	901383
chemicalCompound:mwFreebase	388.487
chemicalCompound:alogp	1.281
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	105.05
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.392
chemicalCompound:acdLogD	1.315
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	388.487
chemicalCompound:acdMostBpk...	6.684
chemicalCompound:chemblId	CHEMBL1477499
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1001383
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:4534040, activity:4536912, activity:4793585, activity:5574982, activity:6578562