1315069

Source:http://linkedlifedata.com/resource/chembl/compound/1315069

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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/C12H11N3O3S/c1-6(14-15-12(13)19)9-4-7-2-3-8(16)5-10(7)18-11(9)17/h2-5,16H,1H3,(H3,13,15,19)/b14-6-
chemicalCompound:standardIn...	JGGMVWOFVXGNGI-NSIKDUERSA-N
chemicalCompound:canonicalS...	C\C(=N\NC(=S)N)\C1=Cc2ccc(O)cc2OC1=O
chemicalCompound:molecularF...	C12H11N3O3S
chemicalCompound:moleculeId	1315069
chemicalCompound:mwFreebase	277.299
chemicalCompound:alogp	1.558
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	129.03
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.299
chemicalCompound:acdLogP	1.68
chemicalCompound:acdLogD	1.344
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	277.299
chemicalCompound:acdMostBpk...	0.973
chemicalCompound:chemblId	CHEMBL1993778
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1415069
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:3630646, activity:3704183, activity:3779969, activity:3941780, activity:4144439, activity:4220298, activity:4362225, activity:4401668, activity:4461833, activity:4703847, activity:4782070, activity:4820880, activity:4934165, activity:5333379, activity:5375234, activity:5515682, activity:5630580, activity:5659953, activity:5681805, activity:5824905, activity:5973834, activity:6518246, activity:6628561, activity:6724999, activity:6782740, activity:6869167, activity:6904255, activity:7190461, activity:7204664, activity:10431786