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1111928
Source:
http://linkedlifedata.com/resource/chembl/compound/1111928
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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:1111928
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:1111928
chemicalCompound:standardIn...
InChI=1S/C22H28N6O3/c1-15-10-12-27(13-11-15)21-7-6-19-24-25-20(28(19)26-21)8-9-22(29)23-17-14-16(30-2)4-5-18(17)31-3/h4-7,14-15H,8-13H2,1-3H3,(H,23,29)
lld:chembl
chemicalCompound:1111928
chemicalCompound:standardIn...
YWOFOVXRULSQRG-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1111928
chemicalCompound:canonicalS...
COc1ccc(OC)c(NC(=O)CCc2nnc3ccc(nn23)N4CCC(C)CC4)c1
lld:chembl
chemicalCompound:1111928
chemicalCompound:molecularF...
C22H28N6O3
lld:chembl
chemicalCompound:1111928
chemicalCompound:moleculeId
1111928
lld:chembl
chemicalCompound:1111928
chemicalCompound:mwFreebase
424.496
lld:chembl
chemicalCompound:1111928
chemicalCompound:alogp
2.331
lld:chembl
chemicalCompound:1111928
chemicalCompound:hba
7
lld:chembl
chemicalCompound:1111928
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:1111928
chemicalCompound:psa
93.88
lld:chembl
chemicalCompound:1111928
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:1111928
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1111928
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:1111928
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:1111928
chemicalCompound:acdMostApk...
13.252
lld:chembl
chemicalCompound:1111928
chemicalCompound:acdLogP
3.505
lld:chembl
chemicalCompound:1111928
chemicalCompound:acdLogD
3.505
lld:chembl
chemicalCompound:1111928
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:1111928
chemicalCompound:fullMwt
424.496
lld:chembl
chemicalCompound:1111928
chemicalCompound:acdMostBpk...
3.845
lld:chembl
chemicalCompound:1111928
chemicalCompound:chemblId
CHEMBL1731197
lld:chembl
chemicalCompound:1111928
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1111928
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1111928
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1111928
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1111928
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1111928
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1111928
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1111928
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1111928
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1111928
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1111928
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1111928
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:1111928
chemicalCompound:activity
activity:5603025
lld:chembl
chemicalCompound:1111928
chemicalCompound:activity
activity:5814313
lld:chembl
chemicalCompound:1111928
chemicalCompound:activity
activity:5898906
lld:chembl
chemicalCompound:1111928
chemicalCompound:activity
activity:6683017
lld:chembl
chemicalCompound:1111928
chemicalCompound:activity
activity:7078576
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1111928
lld:chembl