598243

Source:http://linkedlifedata.com/resource/chembl/compound/598243

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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/C23H22ClN3OS2/c24-17-3-1-13(2-4-17)8-18-20(28)26-22(30-18)27-21-25-19(12-29-21)23-9-14-5-15(10-23)7-16(6-14)11-23/h1-4,8,12,14-16H,5-7,9-11H2,(H,25,26,27,28)/b18-8-
chemicalCompound:standardIn...	ZGBWNDCARVXGRN-LSCVHKIXSA-N
chemicalCompound:canonicalS...	Clc1ccc(\C=C\2/S\C(=N/c3nc(cs3)C45CC6CC(CC(C6)C4)C5)\NC2=O)cc1
chemicalCompound:molecularF...	C23H22ClN3OS2
chemicalCompound:moleculeId	598243
chemicalCompound:mwFreebase	456.023
chemicalCompound:alogp	5.632
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	107.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.717
chemicalCompound:acdLogP	6.64
chemicalCompound:acdLogD	5.827
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	456.023
chemicalCompound:acdMostBpk...	2.681
chemicalCompound:chemblId	CHEMBL592003
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:698243
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:3133161, activity:3133173, activity:3133185, activity:3133197, activity:3133209, activity:3133221, activity:3133233, activity:3133245, activity:3133257, activity:3133269, activity:3133281, activity:3133293, activity:3133305, activity:3133317, activity:3133329, activity:3133341, activity:3133344, activity:3133357, activity:3133370, activity:3133383, activity:3133396, activity:3133409, activity:3133422, activity:3133435, activity:3133448, activity:3133461, activity:3133474, activity:3133487, activity:3133500, activity:3133513, activity:3133526, activity:3133539