489966

Source:http://linkedlifedata.com/resource/chembl/compound/489966

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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/C16H14N2S2/c17-14-8-4-5-9-15(14)19-10-13-11-20-16(18-13)12-6-2-1-3-7-12/h1-9,11H,10,17H2
chemicalCompound:standardIn...	MIDBBSTVUPNODY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccccc1SCc2csc(n2)c3ccccc3
chemicalCompound:molecularF...	C16H14N2S2
chemicalCompound:moleculeId	489966
chemicalCompound:mwFreebase	298.426
chemicalCompound:alogp	3.804
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	92.44
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.143
chemicalCompound:acdLogD	3.143
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	298.426
chemicalCompound:acdMostBpk...	3.054
chemicalCompound:chemblId	CHEMBL477792
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:589966
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:2559892, activity:2559907, activity:2559921