815838

Source:http://linkedlifedata.com/resource/chembl/compound/815838

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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/C19H20N4O2S/c1-23-17(13-25-16-10-6-3-7-11-16)21-22-19(23)26-14-18(24)20-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,20,24)
chemicalCompound:standardIn...	RJAAUVSFBKXLIN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1c(COc2ccccc2)nnc1SCC(=O)NCc3ccccc3
chemicalCompound:molecularF...	C19H20N4O2S
chemicalCompound:moleculeId	815838
chemicalCompound:mwFreebase	368.453
chemicalCompound:alogp	2.887
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	94.34
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.909
chemicalCompound:acdLogD	0.909
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	368.453
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1391954
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:915838
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:4194805, activity:4289162, activity:5001665, activity:5050317, activity:5474847, activity:6877738