1102368

Source:http://linkedlifedata.com/resource/chembl/compound/1102368

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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/C10H11N3OS/c1-7(9-12-13-10(11)15-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,13)
chemicalCompound:standardIn...	OYNCXTKLAZBINA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(Oc1ccccc1)c2nnc(N)s2
chemicalCompound:molecularF...	C10H11N3OS
chemicalCompound:moleculeId	1102368
chemicalCompound:mwFreebase	221.279
chemicalCompound:alogp	1.801
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	89.27
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.735
chemicalCompound:acdLogD	1.735
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	221.279
chemicalCompound:acdMostBpk...	2.889
chemicalCompound:chemblId	CHEMBL1721637
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1202368
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:5513663, activity:5567686, activity:6462057, activity:6549993, activity:6764998