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Sources
257740
Source:
http://linkedlifedata.com/resource/chembl/compound/257740
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Subject
(
35
)
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Inference
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Explicit only
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C12H20N2O5/c1-7(6-19-12(18)8-3-2-4-8)14-11(17)9(13)5-10(15)16/h7-9H,2-6,13H2,1H3,(H,14,17)(H,15,16)/t7-,9+/m0/s1
chemicalCompound:standardIn...
ABHMIEDKNPPLNC-IONNQARKSA-N
chemicalCompound:canonicalS...
C[C@@H](COC(=O)C1CCC1)NC(=O)[C@H](N)CC(=O)O
chemicalCompound:molecularF...
C12 H20 N2 O5
chemicalCompound:moleculeId
257740
chemicalCompound:mwFreebase
272.298
chemicalCompound:alogp
-2.771
chemicalCompound:hba
6
chemicalCompound:hbd
3
chemicalCompound:psa
118.72
chemicalCompound:rtb
8
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
3.728
chemicalCompound:acdLogP
0.306
chemicalCompound:acdLogD
-2.368
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
272.298
chemicalCompound:acdMostBpk...
7.848
chemicalCompound:chemblId
CHEMBL439640
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:357740
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:31941