598310

Source:http://linkedlifedata.com/resource/chembl/compound/598310

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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/C23H23N3O2S2/c27-17-3-1-13(2-4-17)8-18-20(28)25-22(30-18)26-21-24-19(12-29-21)23-9-14-5-15(10-23)7-16(6-14)11-23/h1-4,8,12,14-16,27H,5-7,9-11H2,(H,24,25,26,28)/b18-8-
chemicalCompound:standardIn...	BJUFQAZMWPCDRK-LSCVHKIXSA-N
chemicalCompound:canonicalS...	Oc1ccc(\C=C\2/S\C(=N/c3nc(cs3)C45CC6CC(CC(C6)C4)C5)\NC2=O)cc1
chemicalCompound:molecularF...	C23H23N3O2S2
chemicalCompound:moleculeId	598310
chemicalCompound:mwFreebase	437.578
chemicalCompound:alogp	4.726
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	128.11
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.025
chemicalCompound:acdLogP	5.651
chemicalCompound:acdLogD	5.022
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.578
chemicalCompound:acdMostBpk...	2.694
chemicalCompound:chemblId	CHEMBL606861
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:698310
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:3133155, activity:3133167, activity:3133179, activity:3133191, activity:3133203, activity:3133215, activity:3133227, activity:3133239, activity:3133251, activity:3133263, activity:3133275, activity:3133287, activity:3133299, activity:3133311, activity:3133323, activity:3133335, activity:3133350, activity:3133363, activity:3133376, activity:3133389, activity:3133402, activity:3133415, activity:3133428, activity:3133441, activity:3133454, activity:3133467, activity:3133480, activity:3133493, activity:3133506, activity:3133519, activity:3133532, activity:3133545