2326

Source:http://linkedlifedata.com/resource/chembl/compound/2326

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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:2326_Meballymal_TRADE_NAME, synonym:2326_Quinalbarbitone_TRADE_NAME, synonym:2326_Secobarbital_FDA_ALTERNATIVE_NAME, synonym:2326_Secobarbital_INN, synonym:2326_Secobarbital_USAN, synonym:2326_Secobarbital_USP, synonym:2326_Seconal_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
chemicalCompound:standardIn...	KQPKPCNLIDLUMF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC(C)C1(CC=C)C(=O)NC(=NC1=O)O
chemicalCompound:molecularF...	C12H18N2O3
chemicalCompound:moleculeId	2326
chemicalCompound:mwFreebase	238.283
chemicalCompound:alogp	2.656
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.75
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.493
chemicalCompound:acdLogP	1.774
chemicalCompound:acdLogD	1.328
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	238.283
chemicalCompound:chemblId	CHEMBL447
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102326
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SECOBARBITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:9073
chemicalCompound:activity	activity:349637, activity:963218, activity:963219, activity:963220, activity:963221, activity:963222, activity:1504149, activity:2211934, activity:2211952, activity:5329127, activity:7567045, activity:7796558, activity:7796559, activity:7796560, activity:7796561, activity:7796562, activity:7796563, activity:7796564, activity:7796565, activity:7796566, activity:7796567, activity:7796568, activity:7796569, activity:7796570, activity:7796571, activity:7796572, activity:7796573, activity:7796574, activity:7796575, activity:7796576, activity:7796577, activity:7796578, activity:7796579, activity:7796580, activity:7796581, activity:7796582, activity:7796583, activity:7796584, activity:7796585, activity:7796586, activity:7796587, activity:7796588, activity:7796589, activity:7796590, activity:7796591, activity:7796592, activity:7796593, activity:7796594, activity:7796595, activity:7796596, activity:7796597, activity:7796598, activity:7796599, activity:7796600, activity:7796601, activity:7796602, activity:7796603, activity:7796604