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594951
Source:
http://linkedlifedata.com/resource/chembl/compound/594951
Search
Subject
Predicate
Object
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(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:594951
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:594951
chemicalCompound:standardIn...
InChI=1S/C11H21NO2/c1-2-3-9-4-5-11(6-9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11?/m0/s1
lld:chembl
chemicalCompound:594951
chemicalCompound:standardIn...
QIVCCEZFEVOXGN-FTNKSUMCSA-N
lld:chembl
chemicalCompound:594951
chemicalCompound:canonicalS...
CCC[C@H]1CCC(CN)(CC(=O)O)C1
lld:chembl
chemicalCompound:594951
chemicalCompound:molecularF...
C11H21NO2
lld:chembl
chemicalCompound:594951
chemicalCompound:moleculeId
594951
lld:chembl
chemicalCompound:594951
chemicalCompound:mwFreebase
199.29
lld:chembl
chemicalCompound:594951
chemicalCompound:alogp
-0.778
lld:chembl
chemicalCompound:594951
chemicalCompound:hba
3
lld:chembl
chemicalCompound:594951
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:594951
chemicalCompound:psa
63.32
lld:chembl
chemicalCompound:594951
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:594951
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:594951
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:594951
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:594951
chemicalCompound:acdMostApk...
4.725
lld:chembl
chemicalCompound:594951
chemicalCompound:acdLogP
2.11
lld:chembl
chemicalCompound:594951
chemicalCompound:acdLogD
-0.391
lld:chembl
chemicalCompound:594951
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
lld:chembl
chemicalCompound:594951
chemicalCompound:fullMwt
199.29
lld:chembl
chemicalCompound:594951
chemicalCompound:acdMostBpk...
10.271
lld:chembl
chemicalCompound:594951
chemicalCompound:chemblId
CHEMBL593176
lld:chembl
chemicalCompound:594951
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:594951
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:594951
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:594951
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:594951
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:594951
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:594951
chemicalCompound:oral
No
lld:chembl
chemicalCompound:594951
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:594951
chemicalCompound:topical
No
lld:chembl
chemicalCompound:594951
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:594951
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:594951
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:594951
chemicalCompound:activity
activity:3077070
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:594951
lld:chembl