102218

Source:http://linkedlifedata.com/resource/chembl/compound/102218

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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/C9H14N8OS3/c10-6-7(17-21(18)16-6)13-1-2-19-3-5-4-20-9(14-5)15-8(11)12/h4H,1-3H2,(H2,10,16)(H,13,17)(H4,11,12,14,15)
chemicalCompound:standardIn...	JDKAFLSRQPKFCQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)Nc1nc(CSCCNC2=N[S+]([O-])N=C2N)cs1
chemicalCompound:molecularF...	C9H14N8OS3
chemicalCompound:moleculeId	102218
chemicalCompound:mwFreebase	346.455
chemicalCompound:alogp	-0.991
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	227.38
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.455
chemicalCompound:acdMostBpk...	8.224
chemicalCompound:chemblId	CHEMBL302907
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:202218
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:31928, activity:31929, activity:31930, activity:31931, activity:31932, activity:31933, activity:31934, activity:695572, activity:695573, activity:695574, activity:695575, activity:695576