77162

Source:http://linkedlifedata.com/resource/chembl/compound/77162

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H27NO2/c1-4-8-22-9-7-21-13-16(23)10-14(2)20(21)19(22)11-15-5-6-17(24-3)12-18(15)21/h4-6,12,14,19-20H,1,7-11,13H2,2-3H3/t14?,19?,20-,21?/m0/s1
chemicalCompound:standardIn...	VFXSXBAGAAWZPC-XWTATZQWSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3[C@@H]4C(C)CC(=O)CC4(CCN3CC=C)c2c1
chemicalCompound:molecularF...	C21 H27 N O2
chemicalCompound:moleculeId	77162
chemicalCompound:mwFreebase	325.445
chemicalCompound:alogp	3.12
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.425
chemicalCompound:acdLogD	3.75
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	325.445
chemicalCompound:acdMostBpk...	7.974
chemicalCompound:chemblId	CHEMBL422049
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177162
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:878851, activity:878852