47748

Source:http://linkedlifedata.com/resource/chembl/compound/47748

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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/C19H21NO/c1-21-15-9-10-16-17(12-15)19-8-5-11-20(19)13-18(16)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3/t18-,19+/m0/s1
chemicalCompound:standardIn...	YDMNMWIUPFFTAH-RBUKOAKNSA-N
chemicalCompound:canonicalS...	COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c4ccccc4
chemicalCompound:molecularF...	C19 H21 N O
chemicalCompound:moleculeId	47748
chemicalCompound:mwFreebase	279.376
chemicalCompound:alogp	3.803
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	12.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.646
chemicalCompound:acdLogD	1.622
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	279.376
chemicalCompound:acdMostBpk...	8.385
chemicalCompound:chemblId	CHEMBL32726
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147748
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:746235, activity:746236, activity:746237