1275629

Source:http://linkedlifedata.com/resource/chembl/compound/1275629

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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:699828
chemicalCompound:standardIn...	InChI=1S/C11H10N2O4S2.Na/c1-19(16,17)9-6-12-11(18-9)13-10(15)7-4-2-3-5-8(7)14;/h2-6,14H,1H3,(H,12,13,15);/q;+1
chemicalCompound:standardIn...	FIYUDKOKNFQUEB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[Na+].CS(=O)(=O)c1cnc(NC(=O)c2ccccc2O)s1
chemicalCompound:molecularF...	C11H10N2NaO4S2
chemicalCompound:moleculeId	1275629
chemicalCompound:mwFreebase	298.338
chemicalCompound:alogp	1.02
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	132.97
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.811
chemicalCompound:acdLogP	1.953
chemicalCompound:acdLogD	1.121
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.328
chemicalCompound:chemblId	CHEMBL1940771
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1375629
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:8006437, activity:8006466, activity:8006502, activity:8006532