1078466

Source:http://linkedlifedata.com/resource/chembl/compound/1078466

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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/2C9H7NO.H2O4S/c211-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h21-6,11H;(H2,1,2,3,4)
chemicalCompound:standardIn...	YYVFXSYQSOZCOQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccc2cccnc12.Oc3cccc4cccnc34.OS(=O)(=O)O
chemicalCompound:molecularF...	C18H16N2O6S
chemicalCompound:moleculeId	1078466
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	388.394
chemicalCompound:acdMostBpk...	9.81
chemicalCompound:chemblId	CHEMBL1697698
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1178466
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:5316025, activity:5316961, activity:7840082