2217

Source:http://linkedlifedata.com/resource/chembl/compound/2217

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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:2217_Luminal_TRADE_NAME, synonym:2217_Noptil_TRADE_NAME, synonym:2217_Phenemal_OTHER, synonym:2217_Phenobarbital_BAN, synonym:2217_Phenobarbital_FDA_ALTERNATIVE_NAME, synonym:2217_Phenobarbital_INN, synonym:2217_Phenobarbital_JAN, synonym:2217_Phenobarbital_USAN, synonym:2217_Phenobarbital_USP, synonym:2217_Phenobarbitone_TRADE_NAME, synonym:2217_Phenylethylmalonylurea_OTHER, synonym:2217_Solfoton_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
chemicalCompound:standardIn...	DDBREPKUVSBGFI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1(C(=O)NC(=O)NC1=O)c2ccccc2
chemicalCompound:molecularF...	C12H12N2O3
chemicalCompound:moleculeId	2217
chemicalCompound:mwFreebase	232.235
chemicalCompound:alogp	1.32
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	75.27
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.578
chemicalCompound:acdLogP	0.529
chemicalCompound:acdLogD	0.31
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	232.235
chemicalCompound:chemblId	CHEMBL40
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102217
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PHENOBARBITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8069
chemicalCompound:activity	activity:50029, activity:50030, activity:50031, activity:50032, activity:50567, activity:54071, activity:54072, activity:54073, activity:54074, activity:65377, activity:65378, activity:65379, activity:65380, activity:65381, activity:65382, activity:65383, activity:72725, activity:72726, activity:72727, activity:72728, activity:72729, activity:72730, activity:90763, activity:90764, activity:90765, activity:90766, activity:90767, activity:90768, activity:108599, activity:108600, activity:108601, activity:108602, activity:108603, activity:108604, activity:108605, activity:108606, activity:108607, activity:108608, activity:108609, activity:108610, activity:112513, activity:112514, activity:112515, activity:112516, activity:112517, activity:214064, activity:214065, activity:270630, activity:270631, activity:270632, activity:270633, activity:270634, activity:270635