846456

Source:http://linkedlifedata.com/resource/chembl/compound/846456

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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/C21H31ClN2O4S/c1-16-13-18(22)20(29(26,27)24-11-7-2-3-8-12-24)14-19(16)28-15-21(25)23-17-9-5-4-6-10-17/h13-14,17H,2-12,15H2,1H3,(H,23,25)
chemicalCompound:standardIn...	MGFNXWYSLOODOM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(Cl)c(cc1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCCCCC3
chemicalCompound:molecularF...	C21H31ClN2O4S
chemicalCompound:moleculeId	846456
chemicalCompound:mwFreebase	443
chemicalCompound:alogp	4.372
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.08
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.324
chemicalCompound:acdLogD	4.324
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	443
chemicalCompound:chemblId	CHEMBL1422572
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:946456
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:3636952, activity:3822362, activity:3858736, activity:3867606, activity:4134890, activity:4890382, activity:4954387, activity:5665420, activity:5862876, activity:5883764, activity:5960690, activity:6535577, activity:6726080