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678117
Source:
http://linkedlifedata.com/resource/chembl/compound/678117
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Subject
(
35
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:39385
chemicalCompound:standardIn...
InChI=1S/C6H16N2O.ClH/c7-3-1-5-9-6-2-4-8;/h1-8H2;1H
chemicalCompound:standardIn...
BHOXNSQBEVTIRX-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.NCCCOCCCN
chemicalCompound:molecularF...
C6H17ClN2O
chemicalCompound:moleculeId
678117
chemicalCompound:mwFreebase
132.204
chemicalCompound:alogp
-1.483
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
61.27
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
-0.901
chemicalCompound:acdLogD
-4.854
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
168.665
chemicalCompound:acdMostBpk...
10.051
chemicalCompound:chemblId
CHEMBL1204166
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:778117
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:801497