1617

Source:http://linkedlifedata.com/resource/chembl/compound/1617

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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/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1
chemicalCompound:standardIn...	SUSMVCKSLVPRCL-QGZVFWFLSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)S(=O)(=O)N2CN(Cc3ccccc3)C(=O)C[C@@H]2C(=O)NO
chemicalCompound:molecularF...	C19H21N3O6S
chemicalCompound:moleculeId	1617
chemicalCompound:mwFreebase	419.452
chemicalCompound:alogp	0.83
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	124.63
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.809
chemicalCompound:acdLogP	2.308
chemicalCompound:acdLogD	2.292
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.452
chemicalCompound:chemblId	CHEMBL7390
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101617
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:41046
chemicalCompound:activity	activity:891663, activity:891664, activity:891665, activity:891666, activity:891667, activity:891668, activity:891669