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Sources
119819
Source:
http://linkedlifedata.com/resource/chembl/compound/119819
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Subject
(
35
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C10H13O6PS/c11-9-5-1-2-6-10(9)18(15,16)8-4-3-7-17(12,13)14/h1-3,5-7,11H,4,8H2,(H2,12,13,14)/b7-3+
chemicalCompound:standardIn...
ABLADPNKDJTEQR-XVNBXDOJSA-N
chemicalCompound:canonicalS...
Oc1ccccc1S(=O)(=O)CC\C=C\P(=O)(O)O
chemicalCompound:molecularF...
C10 H13 O6 P S
chemicalCompound:moleculeId
119819
chemicalCompound:mwFreebase
292.245
chemicalCompound:alogp
0.606
chemicalCompound:hba
6
chemicalCompound:hbd
3
chemicalCompound:psa
130.09
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
1.486
chemicalCompound:acdLogP
-0.672
chemicalCompound:acdLogD
-4.979
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
292.245
chemicalCompound:chemblId
CHEMBL77916
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:219819
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:444840
,
activity:444841