924410

Source:http://linkedlifedata.com/resource/chembl/compound/924410

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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/C16H19N3OS/c1-2-21-15-12-14(19-8-10-20-11-9-19)17-16(18-15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
chemicalCompound:standardIn...	MACILQKURDIOCJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCSc1cc(nc(n1)c2ccccc2)N3CCOCC3
chemicalCompound:molecularF...	C16H19N3OS
chemicalCompound:moleculeId	924410
chemicalCompound:mwFreebase	301.407
chemicalCompound:alogp	2.87
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	63.55
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.293
chemicalCompound:acdLogD	4.291
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.407
chemicalCompound:acdMostBpk...	4.982
chemicalCompound:chemblId	CHEMBL1500526
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1024410
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:4636401, activity:5588375, activity:5681241, activity:5804627, activity:6509041, activity:6633174, activity:7129094, activity:7368534, activity:8999981