439020

Source:http://linkedlifedata.com/resource/chembl/compound/439020

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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:439020_Nalorphine_INN
chemicalCompound:standardIn...	InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
chemicalCompound:standardIn...	UIQMVEYFGZJHCZ-SSTWWWIQSA-N
chemicalCompound:canonicalS...	O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
chemicalCompound:molecularF...	C19H21NO3
chemicalCompound:moleculeId	439020
chemicalCompound:mwFreebase	311.375
chemicalCompound:alogp	2.028
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	52.93
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.473
chemicalCompound:acdLogP	1.589
chemicalCompound:acdLogD	1.264
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.375
chemicalCompound:acdMostBpk...	7.375
chemicalCompound:chemblId	CHEMBL415284
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539020
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	NALORPHINE
chemicalCompound:activity	activity:87005, activity:87006, activity:87007, activity:87008, activity:151991, activity:151992, activity:151993, activity:151994, activity:204613, activity:204614, activity:204615, activity:204616, activity:261185, activity:261186, activity:525027, activity:525028, activity:620079, activity:620080, activity:653080, activity:758922, activity:758923, activity:845566, activity:845567, activity:845568, activity:845569, activity:859375, activity:859376, activity:861495, activity:861496, activity:867737, activity:867738, activity:867739, activity:867740, activity:867833, activity:867834, activity:867835, activity:943949, activity:943950, activity:1149420, activity:1149421, activity:1149422, activity:1149423, activity:1176790, activity:1176791, activity:1176792, activity:1176793, activity:1275606, activity:1275607, activity:1275608, activity:2084634, activity:2084648, activity:2084656, activity:2084671, activity:2084687, activity:2263736, activity:2263737, activity:2263738, activity:2263947, activity:2263948, activity:5317619, activity:5318570, activity:5319521, activity:6545100, activity:7565216