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421402
Source:
http://linkedlifedata.com/resource/chembl/compound/421402
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:421402
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:421402
chemicalCompound:standardIn...
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
lld:chembl
chemicalCompound:421402
chemicalCompound:standardIn...
CWVRJTMFETXNAD-NXLLHMKUSA-N
lld:chembl
chemicalCompound:421402
chemicalCompound:canonicalS...
O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)C(=O)O
lld:chembl
chemicalCompound:421402
chemicalCompound:molecularF...
C16H18O9
lld:chembl
chemicalCompound:421402
chemicalCompound:moleculeId
421402
lld:chembl
chemicalCompound:421402
chemicalCompound:mwFreebase
354.309
lld:chembl
chemicalCompound:421402
chemicalCompound:alogp
-0.34
lld:chembl
chemicalCompound:421402
chemicalCompound:hba
9
lld:chembl
chemicalCompound:421402
chemicalCompound:hbd
6
lld:chembl
chemicalCompound:421402
chemicalCompound:psa
164.74
lld:chembl
chemicalCompound:421402
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:421402
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:421402
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:421402
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:421402
chemicalCompound:acdMostApk...
3.897
lld:chembl
chemicalCompound:421402
chemicalCompound:acdLogP
0.37
lld:chembl
chemicalCompound:421402
chemicalCompound:acdLogD
-3.214
lld:chembl
chemicalCompound:421402
chemicalCompound:molecularS...
molecularSpecies:ACID
lld:chembl
chemicalCompound:421402
chemicalCompound:fullMwt
354.309
lld:chembl
chemicalCompound:421402
chemicalCompound:chemblId
CHEMBL249450
lld:chembl
chemicalCompound:421402
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:421402
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:421402
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:421402
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:421402
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:421402
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:421402
chemicalCompound:oral
No
lld:chembl
chemicalCompound:421402
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:421402
chemicalCompound:topical
No
lld:chembl
chemicalCompound:421402
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:421402
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:421402
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:421402
chemicalCompound:chebiParen...
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:421402
chemicalCompound:activity
activity:2063380
lld:chembl
chemicalCompound:421402
chemicalCompound:activity
activity:2063389
lld:chembl
chemicalCompound:421402
chemicalCompound:activity
activity:3105767
lld:chembl
chemicalCompound:421402
chemicalCompound:activity
activity:3105789
lld:chembl
chemicalCompound:421402
chemicalCompound:activity
activity:3105811
lld:chembl
chemicalCompound:421402
chemicalCompound:activity
activity:3131917
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:421402
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:421402
lld:chembl