1000248

Source:http://linkedlifedata.com/resource/chembl/compound/1000248

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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/C20H20N4O3S/c1-2-9-24-19(26)17(11-14-6-3-4-8-22-14)28-20(24)16(12-21)18(25)23-13-15-7-5-10-27-15/h2-4,6,8,11,15H,1,5,7,9-10,13H2,(H,23,25)
chemicalCompound:standardIn...	MVCQQIBVPQLXKK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C=CCN1C(=O)C(=Cc2ccccn2)SC1=C(C#N)C(=O)NCC3CCCO3
chemicalCompound:molecularF...	C20H20N4O3S
chemicalCompound:moleculeId	1000248
chemicalCompound:mwFreebase	396.463
chemicalCompound:alogp	1.686
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	120.62
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.085
chemicalCompound:acdLogP	1.644
chemicalCompound:acdLogD	1.644
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	396.463
chemicalCompound:acdMostBpk...	1.86
chemicalCompound:chemblId	CHEMBL1576364
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1100248
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:3615514, activity:3715345, activity:3789660, activity:3922575, activity:4120211, activity:5332593, activity:6731213, activity:7025334, activity:7226142, activity:7323714, activity:7439385