859208

Source:http://linkedlifedata.com/resource/chembl/compound/859208

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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/C17H18Cl2N4O3S/c1-2-27(25,26)17-20-11-14(19)15(21-17)16(24)23-8-6-22(7-9-23)13-5-3-4-12(18)10-13/h3-5,10-11H,2,6-9H2,1H3
chemicalCompound:standardIn...	LJHQTUUMMYLKQN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N2CCN(CC2)c3cccc(Cl)c3
chemicalCompound:molecularF...	C17H18Cl2N4O3S
chemicalCompound:moleculeId	859208
chemicalCompound:mwFreebase	429.321
chemicalCompound:alogp	3.247
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	91.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.656
chemicalCompound:acdLogD	2.656
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.321
chemicalCompound:acdMostBpk...	0.812
chemicalCompound:chemblId	CHEMBL1435324
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:959208
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:3611944, activity:3769413, activity:3841804, activity:3882260, activity:4068071, activity:4313776, activity:4682656, activity:4862919, activity:4866200, activity:4883955, activity:5045477, activity:5392627, activity:5430139, activity:5535592, activity:5688099, activity:5984517, activity:6436671, activity:6801821, activity:6964124, activity:7307182, activity:7357617, activity:7490068, activity:9791475, activity:9833470, activity:9987462, activity:10263209, activity:10426817, activity:10433570