451581

Source:http://linkedlifedata.com/resource/chembl/compound/451581

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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/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)
chemicalCompound:standardIn...	DOAXPKHKQSQJOY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c3c4C(=O)NC(=O)c4c(cc13)c5ccccc5Cl
chemicalCompound:molecularF...	C24H18ClN3O6S
chemicalCompound:moleculeId	451581
chemicalCompound:mwFreebase	511.934
chemicalCompound:alogp	3.179
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	142.94
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.451
chemicalCompound:acdLogP	3.266
chemicalCompound:acdLogD	1.284
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	511.934
chemicalCompound:chemblId	CHEMBL460940
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:551581
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:2238750, activity:2238751, activity:2238752, activity:2239629, activity:2239682, activity:2239683, activity:2239684, activity:2239734, activity:2239735, activity:2239736, activity:2239737, activity:2239738, activity:2239739, activity:2239740, activity:2239741, activity:2239742, activity:2239743, activity:2239744, activity:2239745, activity:2239746, activity:2239747, activity:2239748, activity:2239749, activity:2239750, activity:2239751, activity:2239752, activity:2239753, activity:2239754, activity:2239755, activity:2239756, activity:2239757, activity:2239758, activity:2239759, activity:2239760, activity:2239761, activity:2307164, activity:2308409