266099

Source:http://linkedlifedata.com/resource/chembl/compound/266099

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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/C20H31N3O3/c1-25-17-20(24)23(22-13-15-26-16-14-22)19-8-11-21(12-9-19)10-7-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
chemicalCompound:standardIn...	JOADVEYKQBKMEK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCC(=O)N(C1CCN(CCc2ccccc2)CC1)N3CCOCC3
chemicalCompound:molecularF...	C20 H31 N3 O3
chemicalCompound:moleculeId	266099
chemicalCompound:mwFreebase	361.478
chemicalCompound:alogp	0.733
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	45.25
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.426
chemicalCompound:acdLogD	0.382
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	361.478
chemicalCompound:acdMostBpk...	8.881
chemicalCompound:chemblId	CHEMBL159123
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:366099
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:34053, activity:34054, activity:34055, activity:34056, activity:34057, activity:34058, activity:34059