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Sources
106
Source:
http://linkedlifedata.com/resource/chembl/compound/106
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Subject
(
34
)
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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/C13H8O5/c14-6-1-2-7-8-3-4-10(15)11(16)12(8)18-13(17)9(7)5-6/h1-5,14-16H
chemicalCompound:standardIn...
YDELCCFAMXESST-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Oc1ccc2c(c1)C(=O)Oc3c(O)c(O)ccc23
chemicalCompound:molecularF...
C13 H8 O5
chemicalCompound:moleculeId
106
chemicalCompound:mwFreebase
244.2
chemicalCompound:alogp
2.224
chemicalCompound:hba
5
chemicalCompound:hbd
3
chemicalCompound:psa
86.99
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
7.946
chemicalCompound:acdLogP
1.615
chemicalCompound:acdLogD
1.475
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
244.2
chemicalCompound:chemblId
CHEMBL204146
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100106
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:97324