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91488
Source:
http://linkedlifedata.com/resource/chembl/compound/91488
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Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:91488
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:91488
chemicalCompound:standardIn...
InChI=1S/C8H9BrN2O4S/c9-4-1-11(8(14)10-7(4)13)5-3-16-6(2-12)15-5/h1,5-6,12H,2-3H2,(H,10,13,14)/t5-,6+/m0/s1
lld:chembl
chemicalCompound:91488
chemicalCompound:standardIn...
GMHAMEKOPZZEBD-NTSWFWBYSA-N
lld:chembl
chemicalCompound:91488
chemicalCompound:canonicalS...
OC[C@@H]1O[C@@H](CS1)N2C=C(Br)C(=O)NC2=O
lld:chembl
chemicalCompound:91488
chemicalCompound:molecularF...
C8 H9 Br N2 O4 S
lld:chembl
chemicalCompound:91488
chemicalCompound:moleculeId
91488
lld:chembl
chemicalCompound:91488
chemicalCompound:mwFreebase
309.137
lld:chembl
chemicalCompound:91488
chemicalCompound:alogp
-0.192
lld:chembl
chemicalCompound:91488
chemicalCompound:hba
5
lld:chembl
chemicalCompound:91488
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:91488
chemicalCompound:psa
104.17
lld:chembl
chemicalCompound:91488
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:91488
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:91488
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:91488
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:91488
chemicalCompound:acdMostApk...
7.613
lld:chembl
chemicalCompound:91488
chemicalCompound:acdLogP
1.628
lld:chembl
chemicalCompound:91488
chemicalCompound:acdLogD
1.423
lld:chembl
chemicalCompound:91488
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:91488
chemicalCompound:fullMwt
309.137
lld:chembl
chemicalCompound:91488
chemicalCompound:chemblId
CHEMBL60858
lld:chembl
chemicalCompound:91488
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:91488
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:91488
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:91488
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:91488
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:91488
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:91488
chemicalCompound:oral
No
lld:chembl
chemicalCompound:91488
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:91488
chemicalCompound:topical
No
lld:chembl
chemicalCompound:91488
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:91488
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:91488
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:91488
chemicalCompound:activity
activity:1156387
lld:chembl
chemicalCompound:91488
chemicalCompound:activity
activity:1156388
lld:chembl
chemicalCompound:91488
chemicalCompound:activity
activity:1156389
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:91488
lld:chembl