1010498

Source:http://linkedlifedata.com/resource/chembl/compound/1010498

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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/C21H21N3O5S2/c1-2-30(25,26)23-17-9-6-8-16(14-17)19-15-20(21-12-7-13-29-21)24(22-19)31(27,28)18-10-4-3-5-11-18/h3-14,20,23H,2,15H2,1H3
chemicalCompound:standardIn...	CCJFHVVGFVIRBL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCS(=O)(=O)Nc1cccc(c1)C2=NN(C(C2)c3occc3)S(=O)(=O)c4ccccc4
chemicalCompound:molecularF...	C21H21N3O5S2
chemicalCompound:moleculeId	1010498
chemicalCompound:mwFreebase	459.539
chemicalCompound:alogp	2.667
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	125.8
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.424
chemicalCompound:acdLogP	2.724
chemicalCompound:acdLogD	2.685
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	459.539
chemicalCompound:chemblId	CHEMBL1586614
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1110498
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:3964249, activity:4084494, activity:4312875, activity:4378089, activity:4783474, activity:5379177, activity:5603016, activity:5714335, activity:6683006, activity:6835936, activity:7078569, activity:7223621, activity:7365600