405349

Source:http://linkedlifedata.com/resource/chembl/compound/405349

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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/C16H20N2O/c1-2-12-3-5-13(6-4-12)15-11-16(18-17-15)14-7-9-19-10-8-14/h3-6,11,14H,2,7-10H2,1H3,(H,17,18)
chemicalCompound:standardIn...	IXYWLFYUXCLNLO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1ccc(cc1)c2cc([nH]n2)C3CCOCC3
chemicalCompound:molecularF...	C16 H20 N2 O
chemicalCompound:moleculeId	405349
chemicalCompound:mwFreebase	256.343
chemicalCompound:alogp	3.665
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.9
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.478
chemicalCompound:acdLogP	4.14
chemicalCompound:acdLogD	4.14
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	256.343
chemicalCompound:acdMostBpk...	2.583
chemicalCompound:chemblId	CHEMBL241426
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:505349
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:2000316, activity:2000332, activity:2000348, activity:2000364, activity:2000380, activity:2000396