957942

Source:http://linkedlifedata.com/resource/chembl/compound/957942

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H18N4S2/c1-12-6-5-9-14(10-12)18-16(22)20-19-15(21)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,17,19,21)(H2,18,20,22)
chemicalCompound:standardIn...	FTNDDDBPZLMNHS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(NC(=NN=C(S)NCc2ccccc2)S)c1
chemicalCompound:molecularF...	C16H18N4S2
chemicalCompound:moleculeId	957942
chemicalCompound:mwFreebase	330.471
chemicalCompound:alogp	4.749
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	126.38
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.536
chemicalCompound:acdLogP	4.476
chemicalCompound:acdLogD	0.977
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	330.471
chemicalCompound:acdMostBpk...	9.08
chemicalCompound:chemblId	CHEMBL1534058
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1057942
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:3641141, activity:3776821, activity:3819010, activity:4154812, activity:4251725, activity:4386701, activity:4451531, activity:4474280, activity:4577644, activity:4729442, activity:4776660, activity:4903475, activity:4934451, activity:5369779, activity:5446813, activity:5698075, activity:5853022, activity:6436152, activity:6567451, activity:6888421, activity:7396113, activity:7544710