47934

Source:http://linkedlifedata.com/resource/chembl/compound/47934

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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/C19H23NO4/c1-10-9-19(22)13-8-11-4-5-12(23-3)16-14(11)18(19,6-7-20(13)2)17(24-16)15(10)21/h4-5,10,13,17,22H,6-9H2,1-3H3/t10-,13?,17-,18?,19?/m0/s1
chemicalCompound:standardIn...	JEMZCESXHFWXQC-CWAKWQJLSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)[C@@H](C)CC35O
chemicalCompound:molecularF...	C19 H23 N O4
chemicalCompound:moleculeId	47934
chemicalCompound:mwFreebase	329.39
chemicalCompound:alogp	1.524
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.14
chemicalCompound:acdLogP	2.124
chemicalCompound:acdLogD	1.652
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.39
chemicalCompound:acdMostBpk...	7.582
chemicalCompound:chemblId	CHEMBL36520
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147934
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:837037, activity:837038