619005

Source:http://linkedlifedata.com/resource/chembl/compound/619005

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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/C20H22N2O8S2/c23-31(24,15-1-3-17-19(13-15)29-11-9-27-17)21-5-7-22(8-6-21)32(25,26)16-2-4-18-20(14-16)30-12-10-28-18/h1-4,13-14H,5-12H2
chemicalCompound:standardIn...	URVWBJYKWNSVGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=S(=O)(N1CCN(CC1)S(=O)(=O)c2ccc3OCCOc3c2)c4ccc5OCCOc5c4
chemicalCompound:molecularF...	C20H22N2O8S2
chemicalCompound:moleculeId	619005
chemicalCompound:mwFreebase	482.527
chemicalCompound:alogp	1.102
chemicalCompound:hba	8
chemicalCompound:hbd	0
chemicalCompound:psa	128.44
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.94
chemicalCompound:acdLogD	3.94
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	482.527
chemicalCompound:chemblId	CHEMBL1091501
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719005
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:3241305, activity:3241363, activity:3241419, activity:3241523, activity:3241579, activity:3262040, activity:3262096, activity:3262200, activity:3262246, activity:3699482, activity:3699502, activity:3775732, activity:3859353, activity:3942378, activity:4443325, activity:4708022, activity:4728251, activity:4754818, activity:4839370, activity:5629801, activity:6488891, activity:7138810, activity:7430502