580899

Source:http://linkedlifedata.com/resource/chembl/compound/580899

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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/C6H7N5S/c1-12-6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11)
chemicalCompound:standardIn...	FEVUWFPPXQJXFN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CSc1nc2c(N)ncnc2[nH]1
chemicalCompound:molecularF...	C6H7N5S
chemicalCompound:moleculeId	580899
chemicalCompound:mwFreebase	181.218
chemicalCompound:alogp	0.641
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	105.78
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.846
chemicalCompound:acdLogP	1.013
chemicalCompound:acdLogD	0.882
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	181.218
chemicalCompound:acdMostBpk...	3.858
chemicalCompound:chemblId	CHEMBL569241
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:680899
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:3010360, activity:3010404, activity:4598061, activity:5400905, activity:5787639, activity:6497479, activity:6927816