748598

Source:http://linkedlifedata.com/resource/chembl/compound/748598

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:27546
chemicalCompound:standardIn...	InChI=1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H
chemicalCompound:standardIn...	UKPBEPCQTDRZSE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCN(CC1)C(c2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C18H23ClN2
chemicalCompound:moleculeId	748598
chemicalCompound:mwFreebase	266.381
chemicalCompound:alogp	3.473
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	6.48
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.471
chemicalCompound:acdLogD	2.077
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	302.842
chemicalCompound:acdMostBpk...	7.498
chemicalCompound:chemblId	CHEMBL1324714
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:848598
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:51045
chemicalCompound:activity	activity:4320634, activity:5712379, activity:7148476