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Sources
126
Source:
http://linkedlifedata.com/resource/chembl/compound/126
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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/C13H11NO5/c15-9-1-5-6-2-10(16)12(18)4-8(6)13(14-19)7(5)3-11(9)17/h1-4,13-19H
chemicalCompound:standardIn...
NLJAPGHINDHDIF-UHFFFAOYSA-N
chemicalCompound:canonicalS...
ONC1c2cc(O)c(O)cc2c3cc(O)c(O)cc13
chemicalCompound:molecularF...
C13 H11 N O5
chemicalCompound:moleculeId
126
chemicalCompound:mwFreebase
261.23
chemicalCompound:alogp
1.435
chemicalCompound:hba
6
chemicalCompound:hbd
6
chemicalCompound:psa
113.18
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.035
chemicalCompound:acdLogP
0.457
chemicalCompound:acdLogD
0.425
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
261.23
chemicalCompound:acdMostBpk...
3.777
chemicalCompound:chemblId
CHEMBL6353
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100126
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:91288