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Sources
406701
Source:
http://linkedlifedata.com/resource/chembl/compound/406701
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Subject
Predicate
Object
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(
39
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:406701
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:406701
chemicalCompound:standardIn...
InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)/b3-2+/t8-,10-,11+,13-/m1/s1
lld:chembl
chemicalCompound:406701
chemicalCompound:standardIn...
NNONZLUPBQRBKD-FSKYWUMTSA-N
lld:chembl
chemicalCompound:406701
chemicalCompound:canonicalS...
COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=C(\C=C\Br)C(=O)NC2=O
lld:chembl
chemicalCompound:406701
chemicalCompound:molecularF...
C14 H17 Br N2 O8
lld:chembl
chemicalCompound:406701
chemicalCompound:moleculeId
406701
lld:chembl
chemicalCompound:406701
chemicalCompound:mwFreebase
421.197
lld:chembl
chemicalCompound:406701
chemicalCompound:alogp
-1.685
lld:chembl
chemicalCompound:406701
chemicalCompound:hba
8
lld:chembl
chemicalCompound:406701
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:406701
chemicalCompound:psa
134.63
lld:chembl
chemicalCompound:406701
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:406701
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:406701
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:406701
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:406701
chemicalCompound:acdMostApk...
8.368
lld:chembl
chemicalCompound:406701
chemicalCompound:acdLogP
0.967
lld:chembl
chemicalCompound:406701
chemicalCompound:acdLogD
0.919
lld:chembl
chemicalCompound:406701
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:406701
chemicalCompound:fullMwt
421.197
lld:chembl
chemicalCompound:406701
chemicalCompound:chemblId
CHEMBL399413
lld:chembl
chemicalCompound:406701
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:406701
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:406701
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:406701
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:406701
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:406701
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:406701
chemicalCompound:oral
No
lld:chembl
chemicalCompound:406701
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:406701
chemicalCompound:topical
No
lld:chembl
chemicalCompound:406701
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:406701
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:406701
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:406701
chemicalCompound:activity
activity:2024109
lld:chembl
chemicalCompound:406701
chemicalCompound:activity
activity:2024147
lld:chembl
chemicalCompound:406701
chemicalCompound:activity
activity:2024184
lld:chembl
chemicalCompound:406701
chemicalCompound:activity
activity:2024209
lld:chembl
chemicalCompound:406701
chemicalCompound:activity
activity:2024239
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:406701
lld:chembl