77729

Source:http://linkedlifedata.com/resource/chembl/compound/77729

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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/C20H25NO2/c22-15-4-3-14-9-19-17-6-5-16(23)11-20(17,18(14)10-15)7-8-21(19)12-13-1-2-13/h3-4,10,13,17,19,22H,1-2,5-9,11-12H2/t17-,19?,20?/m0/s1
chemicalCompound:standardIn...	WGEOQAZWFGLHIA-KKXNLOMOSA-N
chemicalCompound:canonicalS...	Oc1ccc2CC3[C@@H]4CCC(=O)CC4(CCN3CC5CC5)c2c1
chemicalCompound:molecularF...	C20 H25 N O2
chemicalCompound:moleculeId	77729
chemicalCompound:mwFreebase	311.418
chemicalCompound:alogp	2.846
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.067
chemicalCompound:acdLogP	3.554
chemicalCompound:acdLogD	2.277
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	311.418
chemicalCompound:acdMostBpk...	8.672
chemicalCompound:chemblId	CHEMBL300638
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177729
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:870332, activity:870333, activity:870334