239771

Source:http://linkedlifedata.com/resource/chembl/compound/239771

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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/C21H26N2O/c1-3-23(4-2)20(24)21(17-13-9-6-10-14-17)15-18(21)19(22)16-11-7-5-8-12-16/h5-14,18-19H,3-4,15,22H2,1-2H3/t18-,19?,21+/m0/s1
chemicalCompound:standardIn...	KOSGEDAJBHAPOI-OWJBEEKMSA-N
chemicalCompound:canonicalS...	CCN(CC)C(=O)[C@]1(C[C@H]1C(N)c2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C21 H26 N2 O
chemicalCompound:moleculeId	239771
chemicalCompound:mwFreebase	322.444
chemicalCompound:alogp	2.9
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	46.33
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.836
chemicalCompound:acdLogD	-0.014
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	322.444
chemicalCompound:acdMostBpk...	9.246
chemicalCompound:chemblId	CHEMBL145226
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:339771
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:373012, activity:373013, activity:373014