954187

Source:http://linkedlifedata.com/resource/chembl/compound/954187

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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/C17H18N4O2S/c1-2-23-17(22)21-9-7-20(8-10-21)12-13(11-18)16-19-14-5-3-4-6-15(14)24-16/h3-6,12H,2,7-10H2,1H3/b13-12+
chemicalCompound:standardIn...	HPCLOUIAKIKVOC-OUKQBFOZSA-N
chemicalCompound:canonicalS...	CCOC(=O)N1CCN(CC1)\C=C(/C#N)\c2nc3ccccc3s2
chemicalCompound:molecularF...	C17H18N4O2S
chemicalCompound:moleculeId	954187
chemicalCompound:mwFreebase	342.415
chemicalCompound:alogp	2.377
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	97.69
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.692
chemicalCompound:acdLogD	2.692
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	342.415
chemicalCompound:acdMostBpk...	0.016
chemicalCompound:chemblId	CHEMBL1530303
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1054187
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:3615181, activity:3647483, activity:3791057, activity:3855607, activity:4035397, activity:4282464, activity:4305893, activity:4356362, activity:4786420, activity:5013085, activity:5021405, activity:5036990, activity:5409384, activity:5500903, activity:5560151, activity:5694558, activity:5963667, activity:6468272, activity:6777767, activity:6942733, activity:7230469, activity:7299761, activity:7346778, activity:7419989, activity:9825135, activity:10581601