198370

Source:http://linkedlifedata.com/resource/chembl/compound/198370

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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:198370_NSC-20867_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C12H20N2O2S8/c1-7(2)15-11(19)23-21-9(17)13-5-6-14-10(18)22-24-12(20)16-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,18)
chemicalCompound:standardIn...	VJEKSHXRWHXOKP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OC(=S)SS\C(=N/CC\N=C(/S)\SSC(=S)OC(C)C)\S
chemicalCompound:molecularF...	C12 H20 N2 O2 S8
chemicalCompound:moleculeId	198370
chemicalCompound:mwFreebase	480.819
chemicalCompound:alogp	8.823
chemicalCompound:hba	12
chemicalCompound:hbd	2
chemicalCompound:psa	286.16
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-5.95
chemicalCompound:acdLogP	6.454
chemicalCompound:acdLogD	2.204
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	480.819
chemicalCompound:acdMostBpk...	6.225
chemicalCompound:chemblId	CHEMBL118844
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:298370
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:676303, activity:676304