989233

Source:http://linkedlifedata.com/resource/chembl/compound/989233

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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/c1-28-19-5-3-2-4-17(19)20(25)23-21-22-18(14-30-21)15-6-8-16(9-7-15)31(26,27)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
chemicalCompound:standardIn...	OEWBVHQZAIHBFE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1C(=O)Nc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4
chemicalCompound:molecularF...	C21H21N3O5S2
chemicalCompound:moleculeId	989233
chemicalCompound:mwFreebase	459.539
chemicalCompound:alogp	2.347
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	134.44
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.265
chemicalCompound:acdLogP	4.424
chemicalCompound:acdLogD	4.056
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	459.539
chemicalCompound:acdMostBpk...	1.163
chemicalCompound:chemblId	CHEMBL1565349
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1089233
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:3623811, activity:3657658, activity:3716382, activity:3735903, activity:3737824, activity:3825768, activity:3877482, activity:3944361, activity:4072280, activity:4120732, activity:4324784, activity:4418026, activity:4433324, activity:4779909, activity:4922190, activity:4926475, activity:4928516, activity:4970679, activity:5330722, activity:5341320, activity:5464556, activity:5507602, activity:5612397, activity:5665462, activity:5679819, activity:5693331, activity:5790264, activity:5858542, activity:5862918, activity:5864146, activity:5910353, activity:5961490, activity:5975129, activity:6538796, activity:6726021, activity:6891943, activity:7338316, activity:7435984, activity:7516863, activity:8274116, activity:8296301, activity:10324150, activity:10621302, activity:10784230