77161

Source:http://linkedlifedata.com/resource/chembl/compound/77161

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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/C23H31NO/c1-16-5-4-10-23-11-12-24(15-17-6-3-7-17)21(22(16)23)13-18-8-9-19(25-2)14-20(18)23/h8-9,14-16,21-22H,3-7,10-13H2,1-2H3/t16?,21?,22-,23?/m0/s1
chemicalCompound:standardIn...	GXHZDJZDYXULJN-OFHFNKDXSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3[C@@H]4C(C)CCCC4(CCN3C=C5CCC5)c2c1
chemicalCompound:molecularF...	C23 H31 N O
chemicalCompound:moleculeId	77161
chemicalCompound:mwFreebase	337.498
chemicalCompound:alogp	4.943
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	12.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.212
chemicalCompound:acdLogD	5.667
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.498
chemicalCompound:acdMostBpk...	7.814
chemicalCompound:chemblId	CHEMBL299292
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177161
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:890101, activity:890102