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229176
Source:
http://linkedlifedata.com/resource/chembl/compound/229176
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Subject
Predicate
Object
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(
35
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:229176
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:229176
chemicalCompound:standardIn...
InChI=1S/C9H11IN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5?,7-/m1/s1
lld:chembl
chemicalCompound:229176
chemicalCompound:standardIn...
OBGFSDPYSQAECJ-NQPNHJOESA-N
lld:chembl
chemicalCompound:229176
chemicalCompound:canonicalS...
OCC1CC[C@@H](O1)N2C=C(I)C(=O)NC2=O
lld:chembl
chemicalCompound:229176
chemicalCompound:molecularF...
C9 H11 I N2 O4
lld:chembl
chemicalCompound:229176
chemicalCompound:moleculeId
229176
lld:chembl
chemicalCompound:229176
chemicalCompound:mwFreebase
338.099
lld:chembl
chemicalCompound:229176
chemicalCompound:alogp
-0.763
lld:chembl
chemicalCompound:229176
chemicalCompound:hba
4
lld:chembl
chemicalCompound:229176
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:229176
chemicalCompound:psa
78.87
lld:chembl
chemicalCompound:229176
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:229176
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:229176
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:229176
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:229176
chemicalCompound:acdMostApk...
7.943
lld:chembl
chemicalCompound:229176
chemicalCompound:acdLogP
-0.37
lld:chembl
chemicalCompound:229176
chemicalCompound:acdLogD
-0.478
lld:chembl
chemicalCompound:229176
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:229176
chemicalCompound:fullMwt
338.099
lld:chembl
chemicalCompound:229176
chemicalCompound:chemblId
CHEMBL136310
lld:chembl
chemicalCompound:229176
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:229176
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:229176
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:229176
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:229176
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:229176
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:229176
chemicalCompound:oral
No
lld:chembl
chemicalCompound:229176
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:229176
chemicalCompound:topical
No
lld:chembl
chemicalCompound:229176
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:229176
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:229176
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:229176
chemicalCompound:activity
activity:720280
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:229176
lld:chembl