48011

Source:http://linkedlifedata.com/resource/chembl/compound/48011

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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/C22H27NO4/c1-26-16-6-5-14-11-17-22(25)8-7-15(24)20-21(22,18(14)19(16)27-20)9-10-23(17)12-13-3-2-4-13/h5-6,13,17,20,25H,2-4,7-12H2,1H3
chemicalCompound:standardIn...	ZBAQMFALLMLPSC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3N(CC4CCC4)CCC56C(Oc1c25)C(=O)CCC36O
chemicalCompound:molecularF...	C22 H27 N O4
chemicalCompound:moleculeId	48011
chemicalCompound:mwFreebase	369.454
chemicalCompound:alogp	2.338
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.151
chemicalCompound:acdLogP	3.015
chemicalCompound:acdLogD	2.615
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	369.454
chemicalCompound:acdMostBpk...	7.423
chemicalCompound:chemblId	CHEMBL285057
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148011
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:835851, activity:835852