227840

Source:http://linkedlifedata.com/resource/chembl/compound/227840

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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/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1
chemicalCompound:standardIn...	ONBWJWYUHXVEJS-ZTYRTETDSA-N
chemicalCompound:canonicalS...	O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3)c45
chemicalCompound:molecularF...	C16 H17 N O3
chemicalCompound:moleculeId	227840
chemicalCompound:mwFreebase	271.311
chemicalCompound:alogp	0.876
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	61.72
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.165
chemicalCompound:acdLogP	-0.001
chemicalCompound:acdLogD	-1.945
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	271.311
chemicalCompound:acdMostBpk...	9.54
chemicalCompound:chemblId	CHEMBL1227
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:327840
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	NORMORPHINE
chemicalCompound:activity	activity:485685, activity:564478, activity:564479, activity:564480, activity:564481, activity:564482, activity:564483, activity:1100467, activity:7565261, activity:7565262, activity:7565263