1162589

Source:http://linkedlifedata.com/resource/chembl/compound/1162589

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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/c1-7(16)14-10-6-13-12(19-10)15-11(18)8-4-2-3-5-9(8)17/h2-6,17H,1H3,(H,14,16)(H,13,15,18)
chemicalCompound:standardIn...	UUEXOMSESZYWRZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1cnc(NC(=O)c2ccccc2O)s1
chemicalCompound:molecularF...	C12H11N3O3S
chemicalCompound:moleculeId	1162589
chemicalCompound:mwFreebase	277.299
chemicalCompound:alogp	0.614
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	119.56
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.204
chemicalCompound:acdLogP	2.373
chemicalCompound:acdLogD	2.074
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	277.299
chemicalCompound:acdMostBpk...	1.838
chemicalCompound:chemblId	CHEMBL1801514
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1262589
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:6273181, activity:6273199, activity:6273211, activity:6273221, activity:6273226, activity:8006471, activity:8006525, activity:8006527