516916

Source:http://linkedlifedata.com/resource/chembl/compound/516916

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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/C25H26N6OS/c1-16-11-19-21(13-22(16)32-10-9-31-7-3-2-4-8-31)28-15-17(14-26)24(19)29-18-5-6-20-23(12-18)33-25(27)30-20/h5-6,11-13,15H,2-4,7-10H2,1H3,(H2,27,30)(H,28,29)
chemicalCompound:standardIn...	HGSBSXZGQZUQQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc2c(Nc3ccc4nc(N)sc4c3)c(cnc2cc1OCCN5CCCCC5)C#N
chemicalCompound:molecularF...	C25H26N6OS
chemicalCompound:moleculeId	516916
chemicalCompound:mwFreebase	458.579
chemicalCompound:alogp	4.849
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	128.33
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.52
chemicalCompound:acdLogD	2.372
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	458.579
chemicalCompound:acdMostBpk...	8.482
chemicalCompound:chemblId	CHEMBL486370
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:616916
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:2380539, activity:2380540, activity:2380574, activity:2380577, activity:2380580, activity:2380583, activity:2380586, activity:3186201, activity:3186278