987337

Source:http://linkedlifedata.com/resource/chembl/compound/987337

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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/C21H23N3O6S/c1-3-23(4-2)31(28,29)16-9-7-8-15(12-16)21(27)30-14-20(26)24-13-19(25)22-17-10-5-6-11-18(17)24/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
chemicalCompound:standardIn...	BTLPOZXBXXBJBO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)N2CC(=O)Nc3ccccc23
chemicalCompound:molecularF...	C21H23N3O6S
chemicalCompound:moleculeId	987337
chemicalCompound:mwFreebase	445.489
chemicalCompound:alogp	1.148
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	121.46
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.578
chemicalCompound:acdLogP	3.314
chemicalCompound:acdLogD	3.314
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	445.489
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1563453
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1087337
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:4261564, activity:4486740, activity:5719324, activity:5776751, activity:6528662, activity:7263870, activity:7368946, activity:7440638