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2132
Source:
http://linkedlifedata.com/resource/chembl/compound/2132
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Subject
(
45
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:synonym
synonym:2132_Anestatal_TRADE_NAME
,
synonym:2132_Biotal_TRADE_NAME
,
synonym:2132_Surital_TRADE_NAME
,
synonym:2132_Thiamylal_FDA_ALTERNATIVE_NAME
,
synonym:2132_Thioseconal_TRADE_NAME
chemicalCompound:standardIn...
InChI=1S/C12H18N2O2S/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...
XLOMZPUITCYLMJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O
chemicalCompound:molecularF...
C12 H18 N2 O2 S
chemicalCompound:moleculeId
2132
chemicalCompound:mwFreebase
254.349
chemicalCompound:alogp
2.873
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
90.29
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
7.005
chemicalCompound:acdLogP
2.813
chemicalCompound:acdLogD
2.28
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
254.349
chemicalCompound:chemblId
CHEMBL440
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:102132
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
Yes
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
THIAMYLAL
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:9536
chemicalCompound:activity
activity:956960
,
activity:956961
,
activity:956962
,
activity:956963
,
activity:956964