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681909
Source:
http://linkedlifedata.com/resource/chembl/compound/681909
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Subject
Predicate
Object
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(
33
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:681909
chemicalCompound:standardIn...
InChI=1S/C16H12O13S2/c1-26-11-4-7(2-3-9(11)17)15-16(29-31(23,24)25)14(19)13-10(18)5-8(6-12(13)27-15)28-30(20,21)22/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25)
lld:chembl
chemicalCompound:681909
chemicalCompound:standardIn...
ROYNQIRDSFCDQL-UHFFFAOYSA-N
lld:chembl
chemicalCompound:681909
chemicalCompound:canonicalS...
COc1cc(ccc1O)C2=C(OS(=O)(=O)O)C(=O)c3c(O)cc(OS(=O)(=O)O)cc3O2
lld:chembl
chemicalCompound:681909
chemicalCompound:molecularF...
C16H12O13S2
lld:chembl
chemicalCompound:681909
chemicalCompound:moleculeId
681909
lld:chembl
chemicalCompound:681909
chemicalCompound:mwFreebase
476.389
lld:chembl
chemicalCompound:681909
chemicalCompound:alogp
0.884
lld:chembl
chemicalCompound:681909
chemicalCompound:hba
13
lld:chembl
chemicalCompound:681909
chemicalCompound:hbd
4
lld:chembl
chemicalCompound:681909
chemicalCompound:psa
219.94
lld:chembl
chemicalCompound:681909
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:681909
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:681909
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:681909
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:681909
chemicalCompound:acdMostApk...
-4.918
lld:chembl
chemicalCompound:681909
chemicalCompound:acdLogP
1.241
lld:chembl
chemicalCompound:681909
chemicalCompound:acdLogD
-4.216
lld:chembl
chemicalCompound:681909
chemicalCompound:molecularS...
molecularSpecies:ACID
lld:chembl
chemicalCompound:681909
chemicalCompound:fullMwt
476.389
lld:chembl
chemicalCompound:681909
chemicalCompound:chemblId
CHEMBL1207958
lld:chembl
chemicalCompound:681909
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:681909
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:681909
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:681909
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:681909
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:681909
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:681909
chemicalCompound:oral
No
lld:chembl
chemicalCompound:681909
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:681909
chemicalCompound:topical
No
lld:chembl
chemicalCompound:681909
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:681909
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:681909
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:504114
chemicalCompound:parent
chemicalCompound:681909
lld:chembl