5899

Source:http://linkedlifedata.com/resource/chembl/compound/5899

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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/C14H22N2O/c1-2-3-12-17-14-7-5-4-6-13(14)16-10-8-15-9-11-16/h4-7,15H,2-3,8-12H2,1H3
chemicalCompound:standardIn...	YNPHKRWUIFAKLL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCOc1ccccc1N2CCNCC2
chemicalCompound:molecularF...	C14 H22 N2 O
chemicalCompound:moleculeId	5899
chemicalCompound:mwFreebase	234.337
chemicalCompound:alogp	2.725
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	24.5
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.767
chemicalCompound:acdLogD	1.466
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	234.337
chemicalCompound:acdMostBpk...	8.977
chemicalCompound:chemblId	CHEMBL9452
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:105899
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:394191, activity:394192, activity:394193, activity:394194, activity:394195, activity:394196, activity:394197, activity:394198, activity:394199