726906

Source:http://linkedlifedata.com/resource/chembl/compound/726906

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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/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-3-1-2-4-10-6/h1-5H,(H,11,12,13)/b7-5-
chemicalCompound:standardIn...	NYTMYQRFLUTBEL-ALCCZGGFSA-N
chemicalCompound:canonicalS...	O=C1NC(=O)\C(=C\c2ccccn2)\S1
chemicalCompound:molecularF...	C9H6N2O2S
chemicalCompound:moleculeId	726906
chemicalCompound:mwFreebase	206.221
chemicalCompound:alogp	1.22
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.36
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.941
chemicalCompound:acdLogP	0.633
chemicalCompound:acdLogD	0.081
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	206.221
chemicalCompound:acdMostBpk...	0.523
chemicalCompound:chemblId	CHEMBL1303022
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:826906
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:4214086, activity:4437962, activity:5358472, activity:5696546, activity:5890080, activity:7420071, activity:8053235, activity:8053398, activity:8054190, activity:8054353