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138245
Source:
http://linkedlifedata.com/resource/chembl/compound/138245
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Subject
Predicate
Object
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(
41
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:138245
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:138245
chemicalCompound:standardIn...
InChI=1S/C22H27NO5/c1-23(2)16-9-7-13-11-19(26-4)21(27-5)22(28-6)20(13)14-8-10-18(25-3)17(24)12-15(14)16/h8,10-12,16H,7,9H2,1-6H3/t16-/m0/s1
lld:chembl
chemicalCompound:138245
chemicalCompound:standardIn...
NDKXARFZWSQXGE-INIZCTEOSA-N
lld:chembl
chemicalCompound:138245
chemicalCompound:canonicalS...
COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)N(C)C
lld:chembl
chemicalCompound:138245
chemicalCompound:molecularF...
C22 H27 N O5
lld:chembl
chemicalCompound:138245
chemicalCompound:moleculeId
138245
lld:chembl
chemicalCompound:138245
chemicalCompound:mwFreebase
385.453
lld:chembl
chemicalCompound:138245
chemicalCompound:alogp
2.99
lld:chembl
chemicalCompound:138245
chemicalCompound:hba
6
lld:chembl
chemicalCompound:138245
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:138245
chemicalCompound:psa
57.23
lld:chembl
chemicalCompound:138245
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:138245
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:138245
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:138245
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:138245
chemicalCompound:acdLogP
1.49
lld:chembl
chemicalCompound:138245
chemicalCompound:acdLogD
0.879
lld:chembl
chemicalCompound:138245
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:138245
chemicalCompound:fullMwt
385.453
lld:chembl
chemicalCompound:138245
chemicalCompound:acdMostBpk...
7.89
lld:chembl
chemicalCompound:138245
chemicalCompound:chemblId
CHEMBL88003
lld:chembl
chemicalCompound:138245
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:138245
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:138245
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:138245
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:138245
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:138245
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:138245
chemicalCompound:oral
No
lld:chembl
chemicalCompound:138245
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:138245
chemicalCompound:topical
No
lld:chembl
chemicalCompound:138245
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:138245
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:138245
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:138245
chemicalCompound:activity
activity:753357
lld:chembl
chemicalCompound:138245
chemicalCompound:activity
activity:753358
lld:chembl
chemicalCompound:138245
chemicalCompound:activity
activity:753359
lld:chembl
chemicalCompound:138245
chemicalCompound:activity
activity:753360
lld:chembl
chemicalCompound:138245
chemicalCompound:activity
activity:1105588
lld:chembl
chemicalCompound:138245
chemicalCompound:activity
activity:1105589
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:138245
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:138245
lld:chembl