1285696

Source:http://linkedlifedata.com/resource/chembl/compound/1285696

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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/C11H10N2O2S/c1-8-10(4-5-15-8)11(14)13-12-7-9-3-2-6-16-9/h2-7H,1H3,(H,13,14)/b12-7+
chemicalCompound:standardIn...	XGQLTVYQXFFVHE-KPKJPENVSA-N
chemicalCompound:canonicalS...	Cc1occc1C(=O)N\N=C\c2cccs2
chemicalCompound:molecularF...	C11H10N2O2S
chemicalCompound:moleculeId	1285696
chemicalCompound:mwFreebase	234.274
chemicalCompound:alogp	1.886
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	82.83
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.416
chemicalCompound:acdLogP	1.82
chemicalCompound:acdLogD	1.82
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	234.274
chemicalCompound:chemblId	CHEMBL1964405
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1385696
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:3802874, activity:3832909, activity:3904921, activity:3951417, activity:4057372, activity:4280369, activity:4539182, activity:4686453, activity:4732003, activity:4813456, activity:4823029, activity:4974567, activity:4988699, activity:5018733, activity:5019791, activity:5573368, activity:5870384, activity:6562744, activity:7029915, activity:7161665, activity:7410624, activity:10414789