139919

Source:http://linkedlifedata.com/resource/chembl/compound/139919

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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/C11H8Cl2N2OS/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-17-10/h1-2,5,16H,3-4H2
chemicalCompound:standardIn...	KCJITIAFGLRTDX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c2SCCc2nn1c3ccc(Cl)c(Cl)c3
chemicalCompound:molecularF...	C11 H8 Cl2 N2 O S
chemicalCompound:moleculeId	139919
chemicalCompound:mwFreebase	287.165
chemicalCompound:alogp	4.026
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.35
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.879
chemicalCompound:acdLogP	1.52
chemicalCompound:acdLogD	0.917
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	287.165
chemicalCompound:acdMostBpk...	2.239
chemicalCompound:chemblId	CHEMBL87521
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:239919
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:267726, activity:267727, activity:267728, activity:267729, activity:267730, activity:267731, activity:267732, activity:267733, activity:267734, activity:267735, activity:267736, activity:267737, activity:267738, activity:267739