986934

Source:http://linkedlifedata.com/resource/chembl/compound/986934

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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:2265
chemicalCompound:standardIn...	InChI=1S/C12H13N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3;/q-1;+1
chemicalCompound:standardIn...	NGIVTUVVBWOTNT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[Na+].Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1
chemicalCompound:molecularF...	C12H13N4NaO2S
chemicalCompound:moleculeId	986934
chemicalCompound:mwFreebase	278.33
chemicalCompound:alogp	0.878
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	106.35
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.889
chemicalCompound:acdLogP	0.296
chemicalCompound:acdLogD	0.155
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	300.312
chemicalCompound:acdMostBpk...	1.084
chemicalCompound:chemblId	CHEMBL1563050
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1086934
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:4669624, activity:4827440, activity:5792564, activity:5995256, activity:6037062, activity:6038098, activity:6039401, activity:6040333, activity:6531384, activity:6935435, activity:7036967, activity:7088371