981084

Source:http://linkedlifedata.com/resource/chembl/compound/981084

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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/C21H22Cl2N2O3S/c1-15-2-3-17(23)14-19(15)24-10-12-25(13-11-24)20(26)21(8-9-21)29(27,28)18-6-4-16(22)5-7-18/h2-7,14H,8-13H2,1H3
chemicalCompound:standardIn...	KQKCTDMBCMBEFE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)C3(CC3)S(=O)(=O)c4ccc(Cl)cc4
chemicalCompound:molecularF...	C21H22Cl2N2O3S
chemicalCompound:moleculeId	981084
chemicalCompound:mwFreebase	453.382
chemicalCompound:alogp	4.625
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	66.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.466
chemicalCompound:acdLogD	3.466
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	453.382
chemicalCompound:acdMostBpk...	2.033
chemicalCompound:chemblId	CHEMBL1557200
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1081084
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:3626072, activity:3877661, activity:4203873, activity:4421342, activity:4976873, activity:5025767, activity:5481922, activity:5513761, activity:5533409, activity:6496057, activity:7172047