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888449
Source:
http://linkedlifedata.com/resource/chembl/compound/888449
Search
Subject
Predicate
Object
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(
47
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:888449
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:888449
chemicalCompound:standardIn...
InChI=1S/C11H11N3O6/c15-10(16)6-5-9(11(17)18)13-12-7-1-3-8(4-2-7)14(19)20/h1-4,12H,5-6H2,(H,15,16)(H,17,18)
lld:chembl
chemicalCompound:888449
chemicalCompound:standardIn...
JCSHJOVLJPJVLY-UHFFFAOYSA-N
lld:chembl
chemicalCompound:888449
chemicalCompound:canonicalS...
OC(=O)CCC(=NNc1ccc(cc1)[N+](=O)[O-])C(=O)O
lld:chembl
chemicalCompound:888449
chemicalCompound:molecularF...
C11H11N3O6
lld:chembl
chemicalCompound:888449
chemicalCompound:moleculeId
888449
lld:chembl
chemicalCompound:888449
chemicalCompound:mwFreebase
281.222
lld:chembl
chemicalCompound:888449
chemicalCompound:alogp
1.27
lld:chembl
chemicalCompound:888449
chemicalCompound:hba
8
lld:chembl
chemicalCompound:888449
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:888449
chemicalCompound:psa
144.81
lld:chembl
chemicalCompound:888449
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:888449
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:888449
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:888449
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:888449
chemicalCompound:acdMostApk...
-3.213
lld:chembl
chemicalCompound:888449
chemicalCompound:acdLogP
0.995
lld:chembl
chemicalCompound:888449
chemicalCompound:acdLogD
-3.749
lld:chembl
chemicalCompound:888449
chemicalCompound:molecularS...
molecularSpecies:ACID
lld:chembl
chemicalCompound:888449
chemicalCompound:fullMwt
281.222
lld:chembl
chemicalCompound:888449
chemicalCompound:acdMostBpk...
3.303
lld:chembl
chemicalCompound:888449
chemicalCompound:chemblId
CHEMBL1464565
lld:chembl
chemicalCompound:888449
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:888449
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:888449
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:888449
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:888449
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:888449
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:888449
chemicalCompound:oral
No
lld:chembl
chemicalCompound:888449
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:888449
chemicalCompound:topical
No
lld:chembl
chemicalCompound:888449
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:888449
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:888449
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:4046881
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:4318409
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:4348287
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:4428336
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:5562203
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:6473792
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:6581343
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:6664109
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:7172989
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:7236505
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:7446713
lld:chembl
chemicalCompound:888449
chemicalCompound:activity
activity:7564276
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:888449
lld:chembl