236

Source:http://linkedlifedata.com/resource/chembl/compound/236

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:236_GNF-PF-1931_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C10H9N5S3/c1-2-5-3-6-7(16-5)12-4-13-8(6)17-10-15-14-9(11)18-10/h3-4H,2H2,1H3,(H2,11,14)
chemicalCompound:standardIn...	AUPONMVZYSWRCP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1cc2c(Sc3nnc(N)s3)ncnc2s1
chemicalCompound:molecularF...	C10H9N5S3
chemicalCompound:moleculeId	236
chemicalCompound:mwFreebase	295.407
chemicalCompound:alogp	2.851
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	159.36
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.808
chemicalCompound:acdLogD	2.808
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	295.407
chemicalCompound:acdMostBpk...	0.982
chemicalCompound:chemblId	CHEMBL6229
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100236
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:990188, activity:990189, activity:990190, activity:990191, activity:2815475, activity:2823321, activity:2828529, activity:2833390, activity:2854367, activity:2880271, activity:3025991, activity:3030566, activity:3032584, activity:3033516, activity:6235424