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82448
Source:
http://linkedlifedata.com/resource/chembl/compound/82448
Search
Subject
Predicate
Object
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(
43
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:82448
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:82448
chemicalCompound:standardIn...
InChI=1S/C22H25Br2NO3/c1-27-19-5-3-15(23)12-17(19)22(26,18-13-16(24)4-6-20(18)28-2)21-11-14-7-9-25(21)10-8-14/h3-6,12-14,21,26H,7-11H2,1-2H3
lld:chembl
chemicalCompound:82448
chemicalCompound:standardIn...
HAWSNVHPLDPADD-UHFFFAOYSA-N
lld:chembl
chemicalCompound:82448
chemicalCompound:canonicalS...
COc1ccc(Br)cc1C(O)(C2CC3CCN2CC3)c4cc(Br)ccc4OC
lld:chembl
chemicalCompound:82448
chemicalCompound:molecularF...
C22 H25 Br2 N O3
lld:chembl
chemicalCompound:82448
chemicalCompound:moleculeId
82448
lld:chembl
chemicalCompound:82448
chemicalCompound:mwFreebase
511.247
lld:chembl
chemicalCompound:82448
chemicalCompound:alogp
5.082
lld:chembl
chemicalCompound:82448
chemicalCompound:hba
4
lld:chembl
chemicalCompound:82448
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:82448
chemicalCompound:psa
41.93
lld:chembl
chemicalCompound:82448
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:82448
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:82448
chemicalCompound:numRo5viol...
2
lld:chembl
chemicalCompound:82448
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:82448
chemicalCompound:acdMostApk...
12.62
lld:chembl
chemicalCompound:82448
chemicalCompound:acdLogP
6.136
lld:chembl
chemicalCompound:82448
chemicalCompound:acdLogD
3.61
lld:chembl
chemicalCompound:82448
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:82448
chemicalCompound:fullMwt
511.247
lld:chembl
chemicalCompound:82448
chemicalCompound:acdMostBpk...
10.072
lld:chembl
chemicalCompound:82448
chemicalCompound:chemblId
CHEMBL293041
lld:chembl
chemicalCompound:82448
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:82448
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:82448
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:82448
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:82448
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:82448
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:82448
chemicalCompound:oral
No
lld:chembl
chemicalCompound:82448
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:82448
chemicalCompound:topical
No
lld:chembl
chemicalCompound:82448
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:82448
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:82448
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:82448
chemicalCompound:activity
activity:365099
lld:chembl
chemicalCompound:82448
chemicalCompound:activity
activity:365100
lld:chembl
chemicalCompound:82448
chemicalCompound:activity
activity:365101
lld:chembl
chemicalCompound:82448
chemicalCompound:activity
activity:365102
lld:chembl
chemicalCompound:82448
chemicalCompound:activity
activity:365103
lld:chembl
chemicalCompound:82448
chemicalCompound:activity
activity:365104
lld:chembl
chemicalCompound:82448
chemicalCompound:activity
activity:365105
lld:chembl
chemicalCompound:82448
chemicalCompound:activity
activity:365106
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:82448
lld:chembl