199096

Source:http://linkedlifedata.com/resource/chembl/compound/199096

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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:199096_NSC-16844_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H20N6S8/c25-15(29-31-17(27)23-21-13-7-3-1-4-8-13)19-11-12-20-16(26)30-32-18(28)24-22-14-9-5-2-6-10-14/h1-10,21-22H,11-12H2,(H,19,25)(H,20,26)(H,23,27)(H,24,28)
chemicalCompound:standardIn...	SDBIIGLXBBORJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	S=C(NCCNC(=S)SSC(=S)NNc1ccccc1)SSC(=S)NNc2ccccc2
chemicalCompound:molecularF...	C18 H20 N6 S8
chemicalCompound:moleculeId	199096
chemicalCompound:mwFreebase	576.912
chemicalCompound:alogp	9.139
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	301.73
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.122
chemicalCompound:acdLogP	5.746
chemicalCompound:acdLogD	2.857
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	576.912
chemicalCompound:acdMostBpk...	1.658
chemicalCompound:chemblId	CHEMBL121003
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299096
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:682966, activity:682967