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Sources
57539
Source:
http://linkedlifedata.com/resource/chembl/compound/57539
Search
Subject
Predicate
Object
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(
40
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:57539
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:57539
chemicalCompound:standardIn...
InChI=1S/C22H28N4O/c1-21(2,3)13-10-14(18(27)15(11-13)22(4,5)6)20-25-16-8-7-12(19(23)24)9-17(16)26-20/h7-11,27H,1-6H3,(H3,23,24)(H,25,26)
lld:chembl
chemicalCompound:57539
chemicalCompound:standardIn...
OIRUIZLCTOBIQB-UHFFFAOYSA-N
lld:chembl
chemicalCompound:57539
chemicalCompound:canonicalS...
CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)c2nc3cc(ccc3[nH]2)C(=N)N
lld:chembl
chemicalCompound:57539
chemicalCompound:molecularF...
C22 H28 N4 O
lld:chembl
chemicalCompound:57539
chemicalCompound:moleculeId
57539
lld:chembl
chemicalCompound:57539
chemicalCompound:mwFreebase
364.484
lld:chembl
chemicalCompound:57539
chemicalCompound:alogp
4.886
lld:chembl
chemicalCompound:57539
chemicalCompound:hba
3
lld:chembl
chemicalCompound:57539
chemicalCompound:hbd
4
lld:chembl
chemicalCompound:57539
chemicalCompound:psa
98.78
lld:chembl
chemicalCompound:57539
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:57539
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:57539
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:57539
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:57539
chemicalCompound:acdMostApk...
10.2
lld:chembl
chemicalCompound:57539
chemicalCompound:acdLogP
4.453
lld:chembl
chemicalCompound:57539
chemicalCompound:acdLogD
2.49
lld:chembl
chemicalCompound:57539
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:57539
chemicalCompound:fullMwt
364.484
lld:chembl
chemicalCompound:57539
chemicalCompound:acdMostBpk...
12.471
lld:chembl
chemicalCompound:57539
chemicalCompound:chemblId
CHEMBL39634
lld:chembl
chemicalCompound:57539
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:57539
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:57539
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:57539
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:57539
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:57539
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:57539
chemicalCompound:oral
No
lld:chembl
chemicalCompound:57539
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:57539
chemicalCompound:topical
No
lld:chembl
chemicalCompound:57539
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:57539
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:57539
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:57539
chemicalCompound:activity
activity:779064
lld:chembl
chemicalCompound:57539
chemicalCompound:activity
activity:779065
lld:chembl
chemicalCompound:57539
chemicalCompound:activity
activity:779066
lld:chembl
chemicalCompound:57539
chemicalCompound:activity
activity:779067
lld:chembl
chemicalCompound:57539
chemicalCompound:activity
activity:779068
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:57539
lld:chembl