418701

Source:http://linkedlifedata.com/resource/chembl/compound/418701

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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/C20H24N2/c1-2-22(13-7-12-21)15-20-18-10-5-3-8-16(18)14-17-9-4-6-11-19(17)20/h3-6,8-11,14H,2,7,12-13,15,21H2,1H3
chemicalCompound:standardIn...	IQEIPNQGUAMOCC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CCCN)Cc1c2ccccc2cc3ccccc13
chemicalCompound:molecularF...	C20 H24 N2
chemicalCompound:moleculeId	418701
chemicalCompound:mwFreebase	292.418
chemicalCompound:alogp	3.302
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	29.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.265
chemicalCompound:acdLogD	1.461
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	292.418
chemicalCompound:acdMostBpk...	10.116
chemicalCompound:chemblId	CHEMBL398284
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518701
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:2066595, activity:2066596, activity:2066597, activity:2066599, activity:2066603, activity:2066612