508017

Source:http://linkedlifedata.com/resource/chembl/compound/508017

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:130007
chemicalCompound:standardIn...	InChI=1S/C9H7NO.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h1-6,11H;(H2,1,2,3,4)
chemicalCompound:standardIn...	MRUMAIRJPMUAPZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccc2cccnc12.OS(=O)(=O)O
chemicalCompound:molecularF...	C9H9NO5S
chemicalCompound:moleculeId	508017
chemicalCompound:mwFreebase	145.158
chemicalCompound:alogp	1.774
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	33.12
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.058
chemicalCompound:acdLogP	1.901
chemicalCompound:acdLogD	0.818
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	243.236
chemicalCompound:acdMostBpk...	9.81
chemicalCompound:chemblId	CHEMBL451260
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:608017
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	QUINOSOL
chemicalCompound:activity	activity:2352750, activity:3207870, activity:3207872, activity:3207874, activity:3207876, activity:3207878, activity:3207880, activity:3207882, activity:3207884, activity:3207886, activity:3724399, activity:4085227, activity:4526239, activity:4581819, activity:4597275, activity:4818380