48154

Source:http://linkedlifedata.com/resource/chembl/compound/48154

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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/C22H29NO3/c1-13-9-16-17-10-15-5-6-19(26-2)21(25)20(15)22(16,11-18(13)24)7-8-23(17)12-14-3-4-14/h5-6,13-14,16-17,25H,3-4,7-12H2,1-2H3/t13-,16?,17?,22?/m0/s1
chemicalCompound:standardIn...	DYVYBMXIBPLUKH-YYVVUJQWSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@H](C)C(=O)CC4(CCN3CC5CC5)c2c1O
chemicalCompound:molecularF...	C22 H29 N O3
chemicalCompound:moleculeId	48154
chemicalCompound:mwFreebase	355.471
chemicalCompound:alogp	3.292
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.988
chemicalCompound:acdLogP	3.899
chemicalCompound:acdLogD	2.864
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.471
chemicalCompound:acdMostBpk...	8.495
chemicalCompound:chemblId	CHEMBL32611
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148154
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:848011, activity:848012