3012

Source:http://linkedlifedata.com/resource/chembl/compound/3012

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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:3012_MELATONIN_TRADE_NAME, synonym:3012_Melatonin_INN
chemicalCompound:standardIn...	InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
chemicalCompound:standardIn...	DRLFMBDRBRZALE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2[nH]cc(CCNC(=O)C)c2c1
chemicalCompound:molecularF...	C13H16N2O2
chemicalCompound:moleculeId	3012
chemicalCompound:mwFreebase	232.278
chemicalCompound:alogp	1.555
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	54.12
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.043
chemicalCompound:acdLogD	1.043
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	232.278
chemicalCompound:chemblId	CHEMBL45
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:103012
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	MELATONIN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16796
chemicalCompound:activity	activity:72946, activity:72947, activity:72948, activity:139288, activity:139289, activity:191093, activity:191094, activity:191095, activity:191096, activity:191097, activity:191098, activity:191099, activity:191100, activity:191101, activity:231418, activity:231419, activity:241348, activity:241349, activity:241350, activity:264144, activity:264145, activity:264146, activity:264147, activity:267597, activity:281349, activity:281350, activity:301305, activity:301306, activity:301307, activity:301308, activity:301309, activity:323979, activity:323980, activity:340179, activity:340180, activity:340181, activity:340182, activity:340183, activity:340184, activity:340185, activity:373519, activity:373520, activity:373521, activity:373522, activity:373523, activity:373524, activity:373525, activity:422908, activity:422909, activity:457536, activity:523814, activity:523815, activity:546401, activity:546402, activity:561385, activity:561386, activity:561387, activity:561388, activity:561389, activity:561390, activity:561391, activity:561392, activity:561393, activity:561394