807642

Source:http://linkedlifedata.com/resource/chembl/compound/807642

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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/C19H23ClN2O3S2/c1-3-22(4-2)27(24,25)18-7-5-6-16(14-18)21-19(23)12-13-26-17-10-8-15(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
chemicalCompound:standardIn...	GNQPUMLOPMZMFD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
chemicalCompound:molecularF...	C19H23ClN2O3S2
chemicalCompound:moleculeId	807642
chemicalCompound:mwFreebase	426.98
chemicalCompound:alogp	3.735
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	100.15
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.921
chemicalCompound:acdLogP	5.494
chemicalCompound:acdLogD	5.494
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.98
chemicalCompound:chemblId	CHEMBL1383758
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:907642
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:3651606, activity:3797487, activity:3868554, activity:3966283, activity:4216683, activity:4424101, activity:4484438, activity:4656220, activity:5445603, activity:5593663, activity:5908084, activity:6463462, activity:7307734, activity:7350998, activity:7440992, activity:10797179