822593

Source:http://linkedlifedata.com/resource/chembl/compound/822593

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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/C8H13Cl3N2OS2/c1-3-13(4-2)7(15)16-6(12-5-14)8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14)
chemicalCompound:standardIn...	JJZSINVTAAQEGC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)C(=S)SC(NC=O)C(Cl)(Cl)Cl
chemicalCompound:molecularF...	C8H13Cl3N2OS2
chemicalCompound:moleculeId	822593
chemicalCompound:mwFreebase	323.691
chemicalCompound:alogp	3.813
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	89.73
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.783
chemicalCompound:acdLogP	3.002
chemicalCompound:acdLogD	3.002
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	323.691
chemicalCompound:acdMostBpk...	0.691
chemicalCompound:chemblId	CHEMBL1398709
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:922593
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:4009444, activity:4108952, activity:4131866, activity:4388301, activity:5429251, activity:5504692, activity:5534452, activity:5687917, activity:6596196, activity:7184073