598276

Source:http://linkedlifedata.com/resource/chembl/compound/598276

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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/c24-17-4-2-1-3-16(17)8-18-20(28)26-22(30-18)27-21-25-19(12-29-21)23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,8,12-15H,5-7,9-11H2,(H,25,26,27,28)/b18-8-
chemicalCompound:standardIn...	ZLIIUFRXHPAWOI-LSCVHKIXSA-N
chemicalCompound:canonicalS...	Clc1ccccc1\C=C\2/S\C(=N/c3nc(cs3)C45CC6CC(CC(C6)C4)C5)\NC2=O
chemicalCompound:molecularF...	C23H22ClN3OS2
chemicalCompound:moleculeId	598276
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...	6.6
chemicalCompound:acdLogP	6.468
chemicalCompound:acdLogD	5.561
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	456.023
chemicalCompound:acdMostBpk...	2.669
chemicalCompound:chemblId	CHEMBL591755
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:698276
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:3133159, activity:3133171, activity:3133183, activity:3133195, activity:3133207, activity:3133219, activity:3133231, activity:3133243, activity:3133255, activity:3133267, activity:3133279, activity:3133291, activity:3133303, activity:3133315, activity:3133327, activity:3133339, activity:3133346, activity:3133359, activity:3133372, activity:3133385, activity:3133398, activity:3133411, activity:3133424, activity:3133437, activity:3133450, activity:3133463, activity:3133476, activity:3133489, activity:3133502, activity:3133515, activity:3133528, activity:3133541