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221793
Source:
http://linkedlifedata.com/resource/chembl/compound/221793
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Subject
(
38
)
Predicate
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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/C8H9N3O4/c12-6-2-1-5(7(13)3-6)4-9-10-8(14)11-15/h1-4,12-13,15H,(H2,10,11,14)/b9-4+
chemicalCompound:standardIn...
RADKSMRRHBIZHR-RUDMXATFSA-N
chemicalCompound:canonicalS...
ONC(=O)N\N=C\c1ccc(O)cc1O
chemicalCompound:molecularF...
C8 H9 N3 O4
chemicalCompound:moleculeId
221793
chemicalCompound:mwFreebase
211.175
chemicalCompound:alogp
0.337
chemicalCompound:hba
5
chemicalCompound:hbd
5
chemicalCompound:psa
114.18
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
8.494
chemicalCompound:acdLogP
0.59
chemicalCompound:acdLogD
0.483
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
211.175
chemicalCompound:chemblId
CHEMBL135362
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:321793
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:134947
,
activity:134948
,
activity:134949
,
activity:1112082
,
activity:6206528