73066

Source:http://linkedlifedata.com/resource/chembl/compound/73066

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:73066_MCL-101_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
chemicalCompound:standardIn...	YSTAPDGDOHWKQR-CEWLAPEOSA-N
chemicalCompound:canonicalS...	Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC5CCC5)c2c1
chemicalCompound:molecularF...	C21H29NO
chemicalCompound:moleculeId	73066
chemicalCompound:mwFreebase	311.461
chemicalCompound:alogp	4.725
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.175
chemicalCompound:acdLogP	4.683
chemicalCompound:acdLogD	3.191
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	311.461
chemicalCompound:acdMostBpk...	8.913
chemicalCompound:chemblId	CHEMBL301160
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:173066
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BUTORPHAN
chemicalCompound:activity	activity:390466, activity:390467, activity:390468, activity:390469, activity:390470, activity:390471, activity:390472, activity:390473, activity:390474, activity:741575, activity:741576, activity:741577, activity:741578, activity:741579, activity:741580, activity:741581, activity:741582, activity:943598, activity:943599, activity:943600, activity:943601, activity:943602, activity:1103585, activity:1103586, activity:1103587, activity:1103588, activity:1103589, activity:1171409, activity:1668619, activity:1668643, activity:1668690, activity:1668712, activity:1668713, activity:1668723, activity:1668731, activity:1668732, activity:1668733, activity:1668765, activity:1668806, activity:1668807, activity:1668808, activity:1668809, activity:1859773, activity:1859782, activity:1859789, activity:1859798, activity:1859806, activity:1859815, activity:1859826, activity:1859879, activity:1859888, activity:1859891, activity:1859902, activity:1896209, activity:1896220, activity:1896232, activity:1896244, activity:1896256, activity:1896271, activity:1896282, activity:1896299, activity:1896313, activity:1896314, activity:1896335