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705951
Source:
http://linkedlifedata.com/resource/chembl/compound/705951
Search
Subject
Predicate
Object
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(
42
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:705951
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:705951
chemicalCompound:parent
chemicalCompound:789
lld:chembl
chemicalCompound:705951
chemicalCompound:standardIn...
InChI=1S/C15H25NO3.C4H6O6/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
lld:chembl
chemicalCompound:705951
chemicalCompound:standardIn...
WPTKISQJQVFSQI-UHFFFAOYSA-N
lld:chembl
chemicalCompound:705951
chemicalCompound:canonicalS...
COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(=O)O)C(=O)O
lld:chembl
chemicalCompound:705951
chemicalCompound:molecularF...
C19H31NO9
lld:chembl
chemicalCompound:705951
chemicalCompound:moleculeId
705951
lld:chembl
chemicalCompound:705951
chemicalCompound:mwFreebase
267.364
lld:chembl
chemicalCompound:705951
chemicalCompound:alogp
1.757
lld:chembl
chemicalCompound:705951
chemicalCompound:hba
4
lld:chembl
chemicalCompound:705951
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:705951
chemicalCompound:psa
50.72
lld:chembl
chemicalCompound:705951
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:705951
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:705951
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:705951
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:705951
chemicalCompound:acdMostApk...
13.891
lld:chembl
chemicalCompound:705951
chemicalCompound:acdLogP
1.632
lld:chembl
chemicalCompound:705951
chemicalCompound:acdLogD
-0.47
lld:chembl
chemicalCompound:705951
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:705951
chemicalCompound:fullMwt
417.451
lld:chembl
chemicalCompound:705951
chemicalCompound:acdMostBpk...
9.434
lld:chembl
chemicalCompound:705951
chemicalCompound:chemblId
CHEMBL1256957
lld:chembl
chemicalCompound:705951
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:705951
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:705951
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:705951
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:705951
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:705951
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:705951
chemicalCompound:oral
No
lld:chembl
chemicalCompound:705951
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:705951
chemicalCompound:topical
No
lld:chembl
chemicalCompound:705951
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:705951
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:705951
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:705951
chemicalCompound:activity
activity:3490141
lld:chembl
chemicalCompound:705951
chemicalCompound:activity
activity:3490142
lld:chembl
chemicalCompound:705951
chemicalCompound:activity
activity:3926897
lld:chembl
chemicalCompound:705951
chemicalCompound:activity
activity:7059756
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:705951
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:705951
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:705951
lld:chembl