547687

Source:http://linkedlifedata.com/resource/chembl/compound/547687

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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:1125
chemicalCompound:standardIn...	InChI=1S/C4H6N4O3S2.ClH/c1-2(9)6-3-7-8-4(12-3)13(5,10)11;/h1H3,(H2,5,10,11)(H,6,7,9);1H
chemicalCompound:standardIn...	PHPRKHXGABBPQQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(=O)Nc1nnc(s1)S(=O)(=O)N
chemicalCompound:molecularF...	C4H7ClN4O3S2
chemicalCompound:moleculeId	547687
chemicalCompound:mwFreebase	222.245
chemicalCompound:alogp	-1.329
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	151.66
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.442
chemicalCompound:acdLogP	-0.26
chemicalCompound:acdLogD	-0.69
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	258.706
chemicalCompound:chemblId	CHEMBL542496
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647687
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:56287, activity:56288, activity:56289, activity:56290, activity:56291