986870

Source:http://linkedlifedata.com/resource/chembl/compound/986870

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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/C15H18N2OS/c1-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)16-15(17)19/h2-5,10-11H,6-9H2,1H3,(H,16,19)
chemicalCompound:standardIn...	ODTOLAGVQAXYAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CCC(CC1)N2C(=S)Nc3ccccc3C2=O
chemicalCompound:molecularF...	C15H18N2OS
chemicalCompound:moleculeId	986870
chemicalCompound:mwFreebase	274.381
chemicalCompound:alogp	4.252
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	64.43
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.199
chemicalCompound:acdLogP	3.987
chemicalCompound:acdLogD	3.987
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	274.381
chemicalCompound:chemblId	CHEMBL1562986
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1086870
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:3812090, activity:3883872, activity:3960974, activity:4115878, activity:4172955, activity:4273517, activity:4494452, activity:4569236, activity:4671362, activity:4987668, activity:5514337, activity:5586813, activity:5698166, activity:5801200, activity:5875525, activity:7118182