77150

Source:http://linkedlifedata.com/resource/chembl/compound/77150

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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/C20H27NO2/c1-3-4-14-9-16(23)12-20-7-8-21(2)18(19(14)20)10-13-5-6-15(22)11-17(13)20/h5-6,11,14,18-19,22H,3-4,7-10,12H2,1-2H3/t14-,18?,19-,20?/m0/s1
chemicalCompound:standardIn...	LEDWRROTDFGMIG-GZUKPKISSA-N
chemicalCompound:canonicalS...	CCC[C@H]1CC(=O)CC23CCN(C)C(Cc4ccc(O)cc24)[C@H]13
chemicalCompound:molecularF...	C20 H27 N O2
chemicalCompound:moleculeId	77150
chemicalCompound:mwFreebase	313.434
chemicalCompound:alogp	3.19
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.049
chemicalCompound:acdLogP	4.208
chemicalCompound:acdLogD	2.934
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	313.434
chemicalCompound:acdMostBpk...	8.771
chemicalCompound:chemblId	CHEMBL51325
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177150
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:866432, activity:866433