2407

Source:http://linkedlifedata.com/resource/chembl/compound/2407

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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:2407_Aprobarbital_INN, synonym:2407_Oramon_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
chemicalCompound:standardIn...	UORJNBVJVRLXMQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O
chemicalCompound:molecularF...	C10 H14 N2 O3
chemicalCompound:moleculeId	2407
chemicalCompound:mwFreebase	210.23
chemicalCompound:alogp	1.061
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	75.27
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.806
chemicalCompound:acdLogP	1.281
chemicalCompound:acdLogD	1.139
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	210.23
chemicalCompound:chemblId	CHEMBL7863
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102407
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	APROBARBITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:2791
chemicalCompound:activity	activity:970965, activity:970966, activity:970967, activity:970968, activity:970969, activity:5317103, activity:5318054, activity:5319005