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Sources
142940
Source:
http://linkedlifedata.com/resource/chembl/compound/142940
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Subject
(
37
)
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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/C9H11N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h1-4,6,8,13H,5H2,(H2,10,11,14)/t6?,8-/m1/s1
chemicalCompound:standardIn...
OOBICGOWICFMIX-QFSRMBNQSA-N
chemicalCompound:canonicalS...
NC1=NC(=O)N(C=C1)[C@@H]2OC(CO)C=C2
chemicalCompound:molecularF...
C9 H11 N3 O3
chemicalCompound:moleculeId
142940
chemicalCompound:mwFreebase
209.202
chemicalCompound:alogp
-0.907
chemicalCompound:hba
5
chemicalCompound:hbd
2
chemicalCompound:psa
88.15
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
-1.486
chemicalCompound:acdLogD
-1.486
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
209.202
chemicalCompound:acdMostBpk...
4.209
chemicalCompound:chemblId
CHEMBL314076
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:242940
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:721345
,
activity:837984
,
activity:837985
,
activity:837986