24261

Source:http://linkedlifedata.com/resource/chembl/compound/24261

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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/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18-/m0/s1
chemicalCompound:standardIn...	YQYVFVRQLZMJKJ-PEYLTSRESA-N
chemicalCompound:canonicalS...	C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC4CC4
chemicalCompound:molecularF...	C18H25NO
chemicalCompound:moleculeId	24261
chemicalCompound:mwFreebase	271.397
chemicalCompound:alogp	3.728
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.104
chemicalCompound:acdLogP	3.521
chemicalCompound:acdLogD	1.682
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	271.397
chemicalCompound:acdMostBpk...	9.261
chemicalCompound:chemblId	CHEMBL279449
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:124261
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	CYCLAZOCINE
chemicalCompound:activity	activity:148678, activity:148679, activity:158036, activity:158037, activity:158038, activity:405500, activity:405501, activity:405502, activity:421062, activity:421063, activity:421064, activity:421065, activity:421066, activity:421067, activity:421068, activity:421069, activity:421070, activity:421071, activity:421072, activity:421073, activity:421074, activity:657241, activity:774479, activity:774480, activity:839397, activity:839398, activity:858061, activity:858062, activity:865203, activity:865204, activity:865205, activity:983798, activity:983799, activity:983800, activity:1078795, activity:1078796, activity:1078797, activity:1115708, activity:1115709, activity:1115710, activity:1115711, activity:1115712, activity:1192959, activity:1192960, activity:1192961, activity:1225340, activity:1225341, activity:1225342, activity:1225343, activity:1225344, activity:1225345, activity:1283110, activity:1283111, activity:1283112, activity:2051356, activity:2051375, activity:2051393, activity:2062656, activity:2062668, activity:2062677, activity:2263739, activity:2263740, activity:2263741, activity:2263742, activity:2263743