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1038976
Source:
http://linkedlifedata.com/resource/chembl/compound/1038976
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Subject
Predicate
Object
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(
33
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:1038976
chemicalCompound:standardIn...
InChI=1S/C21H26ClNO2/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3
lld:chembl
chemicalCompound:1038976
chemicalCompound:standardIn...
OXBGNWDZXDFSIY-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1038976
chemicalCompound:canonicalS...
CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc3ccccc3
lld:chembl
chemicalCompound:1038976
chemicalCompound:molecularF...
C21H26ClNO2
lld:chembl
chemicalCompound:1038976
chemicalCompound:moleculeId
1038976
lld:chembl
chemicalCompound:1038976
chemicalCompound:mwFreebase
359.89
lld:chembl
chemicalCompound:1038976
chemicalCompound:alogp
5.333
lld:chembl
chemicalCompound:1038976
chemicalCompound:hba
3
lld:chembl
chemicalCompound:1038976
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:1038976
chemicalCompound:psa
30.49
lld:chembl
chemicalCompound:1038976
chemicalCompound:rtb
8
lld:chembl
chemicalCompound:1038976
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1038976
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:1038976
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:1038976
chemicalCompound:acdLogP
4.57
lld:chembl
chemicalCompound:1038976
chemicalCompound:acdLogD
2.918
lld:chembl
chemicalCompound:1038976
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:1038976
chemicalCompound:fullMwt
359.89
lld:chembl
chemicalCompound:1038976
chemicalCompound:acdMostBpk...
9.057
lld:chembl
chemicalCompound:1038976
chemicalCompound:chemblId
CHEMBL1616025
lld:chembl
chemicalCompound:1038976
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1038976
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1038976
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1038976
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1038976
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1038976
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1038976
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1038976
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1038976
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1038976
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1038976
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1038976
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:782808
chemicalCompound:parent
chemicalCompound:1038976
lld:chembl