1103972

Source:http://linkedlifedata.com/resource/chembl/compound/1103972

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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:2525
chemicalCompound:standardIn...	InChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1
chemicalCompound:standardIn...	IHCDKJZZFOUARO-UHFFFAOYSA-M
chemicalCompound:canonicalS...	O.[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1
chemicalCompound:molecularF...	C8H11N2NaO4S
chemicalCompound:moleculeId	1103972
chemicalCompound:mwFreebase	214.242
chemicalCompound:alogp	-0.222
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	97.63
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.432
chemicalCompound:acdLogP	-0.96
chemicalCompound:acdLogD	-2.522
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	254.239
chemicalCompound:acdMostBpk...	0.93
chemicalCompound:chemblId	CHEMBL1723241
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1203972
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:5523484, activity:5991195, activity:6006858, activity:6032213, activity:6035586, activity:6043429