43947

Source:http://linkedlifedata.com/resource/chembl/compound/43947

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C10H13N5O2S/c11-8-7-6(9(12)18)3-15(5-17-2-1-16)10(7)14-4-13-8/h3-4,16H,1-2,5H2,(H2,12,18)(H2,11,13,14)
chemicalCompound:standardIn...	GVCLNACSYKYUHP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=S)c1cn(COCCO)c2ncnc(N)c12
chemicalCompound:molecularF...	C10 H13 N5 O2 S
chemicalCompound:moleculeId	43947
chemicalCompound:mwFreebase	267.308
chemicalCompound:alogp	-0.276
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	144.3
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.583
chemicalCompound:acdLogP	0.196
chemicalCompound:acdLogD	0.196
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	267.308
chemicalCompound:acdMostBpk...	4.719
chemicalCompound:chemblId	CHEMBL30286
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:143947
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:505203, activity:505204, activity:505205, activity:505206, activity:793422, activity:793423, activity:793424, activity:793425, activity:793426, activity:793427, activity:1223386, activity:1223387, activity:1223388