48710

Source:http://linkedlifedata.com/resource/chembl/compound/48710

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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/C19H23NO3/c1-10-8-12-13-9-11-4-5-14(22-3)17-15(11)19(12,6-7-20(13)2)18(23-17)16(10)21/h4-5,10,12-13,18H,6-9H2,1-3H3/t10-,12?,13?,18-,19?/m0/s1
chemicalCompound:standardIn...	IEBITTOKLTXHMN-RFMGPGFGSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@H](C)C(=O)[C@@H]5Oc1c2C45CCN3C
chemicalCompound:molecularF...	C19 H23 N O3
chemicalCompound:moleculeId	48710
chemicalCompound:mwFreebase	313.391
chemicalCompound:alogp	2.403
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.76
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.103
chemicalCompound:acdLogD	1.944
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	313.391
chemicalCompound:acdMostBpk...	8.533
chemicalCompound:chemblId	CHEMBL35068
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148710
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:840764, activity:840765