199261

Source:http://linkedlifedata.com/resource/chembl/compound/199261

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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:199261_NSC-327174_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C10H14N4O2S4/c1-5(15)13-7-3-11-9(17-7)19-20-10-12-4-8(18-10)14-6(2)16/h7-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)
chemicalCompound:standardIn...	CHUUUMULDDEGPB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)NC1CN=C(SSC2=NCC(NC(=O)C)S2)S1
chemicalCompound:molecularF...	C10 H14 N4 O2 S4
chemicalCompound:moleculeId	199261
chemicalCompound:mwFreebase	350.504
chemicalCompound:alogp	2.299
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	184.11
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.424
chemicalCompound:acdLogP	1.477
chemicalCompound:acdLogD	1.477
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	350.504
chemicalCompound:acdMostBpk...	1.54
chemicalCompound:chemblId	CHEMBL121095
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299261
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:712162, activity:712163, activity:712164, activity:712165, activity:712166, activity:712167, activity:712168, activity:712169