491614

Source:http://linkedlifedata.com/resource/chembl/compound/491614

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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/C25H22N4O5S2/c26-35(31,32)23-15-13-20(14-16-23)28-36(33,34)24-17-11-19(12-18-24)27-25(30)29(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,28H,(H,27,30)(H2,26,31,32)
chemicalCompound:standardIn...	KVPJTUZDUWRZHQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c4ccccc4)cc2)cc1
chemicalCompound:molecularF...	C25H22N4O5S2
chemicalCompound:moleculeId	491614
chemicalCompound:mwFreebase	522.596
chemicalCompound:alogp	3.498
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	155.43
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.878
chemicalCompound:acdLogP	2.565
chemicalCompound:acdLogD	2.385
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	522.596
chemicalCompound:chemblId	CHEMBL523796
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:591614
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:2486765, activity:2486800, activity:8239766, activity:8289873, activity:8339813, activity:8350653, activity:8369711, activity:8389926, activity:8527092, activity:8554134, activity:8628205, activity:8692970, activity:8704260, activity:8732901, activity:8739915, activity:8836916, activity:8857221, activity:8867925, activity:8897348, activity:9006861, activity:9036239, activity:9070899, activity:9132954, activity:9224702, activity:9257198, activity:9263408, activity:9325841, activity:9395315, activity:9402074, activity:9474489, activity:9481288, activity:9521989, activity:9654161, activity:9752068, activity:9861456, activity:9902866, activity:9928724, activity:9965821, activity:10029383, activity:10044843, activity:10137340, activity:10148711, activity:10219521, activity:10248515, activity:10276967, activity:10338364, activity:10366126, activity:10398199, activity:10413022, activity:10533800, activity:10561544, activity:10641815, activity:10652188, activity:10740184, activity:10751712, activity:10763068