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16913
Source:
http://linkedlifedata.com/resource/chembl/compound/16913
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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/C9H11NO2/c10-7-1-5-3-8(11)9(12)4-6(5)2-7/h3-4,7,11-12H,1-2,10H2
chemicalCompound:standardIn...
MTDARFGDCNHWEK-UHFFFAOYSA-N
chemicalCompound:canonicalS...
NC1Cc2cc(O)c(O)cc2C1
chemicalCompound:molecularF...
C9 H11 N O2
chemicalCompound:moleculeId
16913
chemicalCompound:mwFreebase
165.189
chemicalCompound:alogp
0.876
chemicalCompound:hba
3
chemicalCompound:hbd
3
chemicalCompound:psa
66.48
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.826
chemicalCompound:acdLogP
0.171
chemicalCompound:acdLogD
-1.536
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
165.189
chemicalCompound:acdMostBpk...
9.063
chemicalCompound:chemblId
CHEMBL277347
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:116913
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:1245272