262204

Source:http://linkedlifedata.com/resource/chembl/compound/262204

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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/C13H17N3O2/c1-3-16-9-11(10-7-5-4-6-8-10)14-12(16)15-13(17)18-2/h4-8,11H,3,9H2,1-2H3,(H,14,15,17)
chemicalCompound:standardIn...	JRAWJTZTHQYCOS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1CC(N=C1NC(=O)OC)c2ccccc2
chemicalCompound:molecularF...	C13 H17 N3 O2
chemicalCompound:moleculeId	262204
chemicalCompound:mwFreebase	247.293
chemicalCompound:alogp	2.043
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	53.93
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.012
chemicalCompound:acdLogP	1.854
chemicalCompound:acdLogD	1.177
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	247.293
chemicalCompound:acdMostBpk...	7.994
chemicalCompound:chemblId	CHEMBL346699
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362204
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:802956, activity:802957, activity:802958, activity:802959, activity:802960, activity:802961, activity:802962