48578

Source:http://linkedlifedata.com/resource/chembl/compound/48578

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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/C19H21N/c1-14-7-2-3-8-15(14)18-13-20-12-6-11-19(20)17-10-5-4-9-16(17)18/h2-5,7-10,18-19H,6,11-13H2,1H3/t18-,19+/m0/s1
chemicalCompound:standardIn...	GWRZRVKIDUENPU-RBUKOAKNSA-N
chemicalCompound:canonicalS...	Cc1ccccc1[C@@H]2CN3CCC[C@@H]3c4ccccc24
chemicalCompound:molecularF...	C19 H21 N
chemicalCompound:moleculeId	48578
chemicalCompound:mwFreebase	263.377
chemicalCompound:alogp	4.305
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.173
chemicalCompound:acdLogD	2.052
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.377
chemicalCompound:acdMostBpk...	8.492
chemicalCompound:chemblId	CHEMBL431898
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148578
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:719187, activity:719188, activity:719189, activity:719190, activity:719191