2367

Source:http://linkedlifedata.com/resource/chembl/compound/2367

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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:2367_HEXOBARBITAL_TRADE_NAME, synonym:2367_HEXOBARBITONE_TRADE_NAME, synonym:2367_Hexobarbital_INN
chemicalCompound:standardIn...	InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
chemicalCompound:standardIn...	UYXAWHWODHRRMR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O
chemicalCompound:molecularF...	C12H16N2O3
chemicalCompound:moleculeId	2367
chemicalCompound:mwFreebase	236.267
chemicalCompound:alogp	1.493
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	66.48
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.99
chemicalCompound:acdLogP	1.457
chemicalCompound:acdLogD	1.359
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	236.267
chemicalCompound:chemblId	CHEMBL7728
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102367
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	HEXOBARBITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:5706
chemicalCompound:activity	activity:890772, activity:890773, activity:890774, activity:890775, activity:946569, activity:946570, activity:946571, activity:946572, activity:946573, activity:1504127, activity:2385427, activity:2545958, activity:2671992, activity:2671993, activity:4564092, activity:5080383, activity:5081003, activity:5082015, activity:5082326, activity:5082415, activity:5317451, activity:5318402, activity:5319353, activity:5474820, activity:6260291, activity:6500442, activity:6762937, activity:6784645, activity:7406904, activity:9342485, activity:9342674