243298

Source:http://linkedlifedata.com/resource/chembl/compound/243298

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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/C23H26N2O2/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1
chemicalCompound:standardIn...	HYVDVRAQILFVQT-GMAHTHKFSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1CN[C@H]2CCCN[C@H]2c3ccccc3)c4cocc4
chemicalCompound:molecularF...	C23 H26 N2 O2
chemicalCompound:moleculeId	243298
chemicalCompound:mwFreebase	362.465
chemicalCompound:alogp	3.678
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	46.43
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.483
chemicalCompound:acdLogD	2.373
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	362.465
chemicalCompound:acdMostBpk...	9.151
chemicalCompound:chemblId	CHEMBL356786
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343298
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:750407, activity:750408, activity:750409, activity:750410, activity:750411, activity:750412, activity:750413