Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:synonym
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...
chemicalCompound:fullMwt
238.283
chemicalCompound:chemblId
CHEMBL447
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
Yes
chemicalCompound:parenteral
Yes
chemicalCompound:topical
Yes
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
SECOBARBITAL
chemicalCompound:chebiParen...
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, activity:7796605, activity:7796606, activity:7796607, activity:7796608, activity:7796609, activity:7796610, activity:7796611, activity:7796612, activity:7796613, activity:7796614, activity:7796615, activity:7796616, activity:7796617, activity:7796618, activity:7796619, activity:7796620, activity:7796621, activity:7796622, activity:7796623, activity:7796624, activity:7796625, activity:7796626, activity:7796627, activity:7796628, activity:7796629, activity:7796630, activity:7796631, activity:7796632, activity:7796633, activity:7796634, activity:7796635, activity:7796636, activity:7796637, activity:7796638, activity:7796639, activity:7796640, activity:7796641, activity:7796642, activity:7796643, activity:7796644, activity:7796645, activity:7796646, activity:7796647, activity:7796648, activity:7796649, activity:7796650, activity:7796651, activity:7796652, activity:7796653, activity:7796654, activity:7796655, activity:7796656, activity:7796657, activity:7796658, activity:7796659, activity:7796660, activity:7796661, activity:7796662, activity:7796663, activity:7796664, activity:7796665, activity:7796666, activity:7796667, activity:7796668, activity:7796669, activity:7796670, activity:7796671, activity:7796672, activity:7796673, activity:7796674, activity:7796675, activity:7796676, activity:7796677, activity:7796678, activity:7796679, activity:7796680, activity:7796681, activity:7796682, activity:7796683, activity:7796684, activity:7796685, activity:7796686, activity:7796687, activity:7796688, activity:7798672, activity:7798673, activity:7798674, activity:7798675, activity:7798676, activity:7798677, activity:7798678, activity:7798679, activity:7798680, activity:7798681, activity:7798682, activity:7798683, activity:7798684, activity:7798685, activity:7798686, activity:7798687
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