449402

Source:http://linkedlifedata.com/resource/chembl/compound/449402

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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/C6H7NS2/c1-8-9-6-4-2-3-5-7-6/h2-5H,1H3
chemicalCompound:standardIn...	BHANCCMWYDZQOR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CSSc1ccccn1
chemicalCompound:molecularF...	C6H7NS2
chemicalCompound:moleculeId	449402
chemicalCompound:mwFreebase	157.256
chemicalCompound:alogp	2.35
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	63.48
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.99
chemicalCompound:acdLogD	1.99
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	157.256
chemicalCompound:acdMostBpk...	2.517
chemicalCompound:chemblId	CHEMBL454604
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:549402
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:2464845, activity:2663340, activity:2663341, activity:2663342, activity:2663343, activity:2663344, activity:2663345, activity:2663346