139959

Source:http://linkedlifedata.com/resource/chembl/compound/139959

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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/C11H10N2OS/c14-11-10-9(6-7-15-10)12-13(11)8-4-2-1-3-5-8/h1-5,14H,6-7H2
chemicalCompound:standardIn...	QPIOQQGEZUTTHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c2SCCc2nn1c3ccccc3
chemicalCompound:molecularF...	C11 H10 N2 O S
chemicalCompound:moleculeId	139959
chemicalCompound:mwFreebase	218.275
chemicalCompound:alogp	2.697
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.35
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.918
chemicalCompound:acdLogP	0.998
chemicalCompound:acdLogD	0.879
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	218.275
chemicalCompound:acdMostBpk...	2.893
chemicalCompound:chemblId	CHEMBL87821
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:239959
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:275226, activity:275227, activity:275228, activity:275229, activity:275230, activity:275231, activity:275232, activity:275233, activity:275234, activity:275235, activity:275236, activity:275237, activity:275238