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1051334
Source:
http://linkedlifedata.com/resource/chembl/compound/1051334
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Subject
(
33
)
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:parent
chemicalCompound:2076
chemicalCompound:standardIn...
InChI=1S/2C12H18N2O/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h2*1-2,5-11H2
chemicalCompound:standardIn...
JVPVEAZJBAQNRB-UHFFFAOYSA-N
chemicalCompound:canonicalS...
O=C1CCCN1CC#CCN2CCCC2.O=C3CCCN3CC#CCN4CCCC4
chemicalCompound:molecularF...
C24H36N4O2
chemicalCompound:moleculeId
1051334
chemicalCompound:mwFreebase
206.284
chemicalCompound:alogp
1.025
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
23.55
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.56
chemicalCompound:acdLogD
0.637
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
412.568
chemicalCompound:acdMostBpk...
8.289
chemicalCompound:chemblId
CHEMBL1628443
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1151334
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No