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Sources
8433
Source:
http://linkedlifedata.com/resource/chembl/compound/8433
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Subject
(
32
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C12H20N2O/c1-12(15)13(2)8-6-7-11-14-9-4-3-5-10-14/h3-5,8-11H2,1-2H3
chemicalCompound:standardIn...
MDDJQBABWMNJMC-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN(CC#CCN1CCCCC1)C(=O)C
chemicalCompound:molecularF...
C12 H20 N2 O
chemicalCompound:moleculeId
8433
chemicalCompound:mwFreebase
208.3
chemicalCompound:alogp
1.226
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
23.55
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.94
chemicalCompound:acdLogD
1.532
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
208.3
chemicalCompound:acdMostBpk...
7.69
chemicalCompound:chemblId
CHEMBL11376
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:108433
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No