198543

Source:http://linkedlifedata.com/resource/chembl/compound/198543

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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:198543_NSC-83217_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C12H14N4O4S4/c13-9-5-7(23(15,17)18)1-3-11(9)21-22-12-4-2-8(6-10(12)14)24(16,19)20/h1-6H,13-14H2,(H2,15,17,18)(H2,16,19,20)
chemicalCompound:standardIn...	CVACEDCBGCMVKB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1cc(ccc1SSc2ccc(cc2N)S(=O)(=O)N)S(=O)(=O)N
chemicalCompound:molecularF...	C12 H14 N4 O4 S4
chemicalCompound:moleculeId	198543
chemicalCompound:mwFreebase	406.524
chemicalCompound:alogp	0.456
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	239.72
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.8
chemicalCompound:acdLogP	0.217
chemicalCompound:acdLogD	0.215
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	406.524
chemicalCompound:acdMostBpk...	1.609
chemicalCompound:chemblId	CHEMBL120806
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:298543
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:707039, activity:707040, activity:707041, activity:707042, activity:707043, activity:707044, activity:707045, activity:707046, activity:3690497, activity:4019361, activity:4191768, activity:4412016, activity:4667258, activity:4789109, activity:4845509, activity:5017070, activity:5856184, activity:6006416, activity:6006695, activity:6008624, activity:6016483, activity:6032104, activity:8254350, activity:8266191, activity:8303892, activity:8318962, activity:8404949, activity:8416245, activity:8446857, activity:8506537, activity:8520014, activity:8576581, activity:8596728, activity:8657719, activity:8673401, activity:8772705, activity:8779642, activity:8805050, activity:8834483, activity:8908110, activity:8933007, activity:8971538, activity:9048326, activity:9076462, activity:9086448, activity:9101772, activity:9192967, activity:9228348, activity:9292339, activity:9360814, activity:9366867, activity:9434779, activity:9443764, activity:9450611, activity:9563287, activity:9691666, activity:9701539, activity:9720794, activity:9792156, activity:9867585, activity:9896595, activity:9934665, activity:9968058, activity:10007271, activity:10022789