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268074
Source:
http://linkedlifedata.com/resource/chembl/compound/268074
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Subject
Predicate
Object
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(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:268074
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:268074
chemicalCompound:standardIn...
InChI=1S/C15H20BrClN2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)11(17)7-10(16)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
lld:chembl
chemicalCompound:268074
chemicalCompound:standardIn...
IPPNEMDTPYLJSE-VIFPVBQESA-N
lld:chembl
chemicalCompound:268074
chemicalCompound:canonicalS...
CCN1CCC[C@H]1CNC(=O)c2c(O)c(Cl)cc(Br)c2OC
lld:chembl
chemicalCompound:268074
chemicalCompound:molecularF...
C15 H20 Br Cl N2 O3
lld:chembl
chemicalCompound:268074
chemicalCompound:moleculeId
268074
lld:chembl
chemicalCompound:268074
chemicalCompound:mwFreebase
391.688
lld:chembl
chemicalCompound:268074
chemicalCompound:alogp
3.169
lld:chembl
chemicalCompound:268074
chemicalCompound:hba
4
lld:chembl
chemicalCompound:268074
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:268074
chemicalCompound:psa
61.8
lld:chembl
chemicalCompound:268074
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:268074
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:268074
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:268074
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:268074
chemicalCompound:acdMostApk...
5.808
lld:chembl
chemicalCompound:268074
chemicalCompound:acdLogP
3.816
lld:chembl
chemicalCompound:268074
chemicalCompound:acdLogD
1.346
lld:chembl
chemicalCompound:268074
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
lld:chembl
chemicalCompound:268074
chemicalCompound:fullMwt
391.688
lld:chembl
chemicalCompound:268074
chemicalCompound:acdMostBpk...
8.97
lld:chembl
chemicalCompound:268074
chemicalCompound:chemblId
CHEMBL161418
lld:chembl
chemicalCompound:268074
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:268074
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:268074
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:268074
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:268074
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:268074
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:268074
chemicalCompound:oral
No
lld:chembl
chemicalCompound:268074
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:268074
chemicalCompound:topical
No
lld:chembl
chemicalCompound:268074
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:268074
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:268074
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:268074
chemicalCompound:activity
activity:533146
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:268074
lld:chembl