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Sources
257258
Source:
http://linkedlifedata.com/resource/chembl/compound/257258
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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/C9H16N2O5/c1-5(4-16-6(2)12)11-9(15)7(10)3-8(13)14/h5,7H,3-4,10H2,1-2H3,(H,11,15)(H,13,14)/t5-,7+/m0/s1
chemicalCompound:standardIn...
VDDPEZRYLDOHNN-CAHLUQPWSA-N
chemicalCompound:canonicalS...
C[C@@H](COC(=O)C)NC(=O)[C@H](N)CC(=O)O
chemicalCompound:molecularF...
C9 H16 N2 O5
chemicalCompound:moleculeId
257258
chemicalCompound:mwFreebase
232.234
chemicalCompound:alogp
-3.985
chemicalCompound:hba
6
chemicalCompound:hbd
3
chemicalCompound:psa
118.72
chemicalCompound:rtb
7
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
3.734
chemicalCompound:acdLogP
-0.612
chemicalCompound:acdLogD
-3.274
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
232.234
chemicalCompound:acdMostBpk...
7.928
chemicalCompound:chemblId
CHEMBL154020
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:357258
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:31940