911280

Source:http://linkedlifedata.com/resource/chembl/compound/911280

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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/C17H22N2O5S2/c1-4-19(5-2)26(22,23)13-8-6-12(7-9-13)16(20)18-14-10-11-25-15(14)17(21)24-3/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)
chemicalCompound:standardIn...	PVDVBSIYTXVQEZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NC2=C(SCC2)C(=O)OC
chemicalCompound:molecularF...	C17H22N2O5S2
chemicalCompound:moleculeId	911280
chemicalCompound:mwFreebase	398.497
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	126.46
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.956
chemicalCompound:acdLogP	2.493
chemicalCompound:acdLogD	2.493
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	398.497
chemicalCompound:chemblId	CHEMBL1487396
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1011280
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:3768126, activity:3955123, activity:4010249, activity:4117822, activity:4336330, activity:4467096, activity:4904638, activity:5354272, activity:5789703, activity:5879293, activity:5968443, activity:5990010, activity:6018776, activity:6039639, activity:6047064, activity:6058802, activity:7150836, activity:7326726