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Sources
687
Source:
http://linkedlifedata.com/resource/chembl/compound/687
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Subject
(
74
)
Predicate
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
chemicalCompound:standardIn...
MDBWEQVKJDMEMK-AWEZNQCLSA-N
chemicalCompound:canonicalS...
CCCN(CCC)[C@H]1CCc2c(O)cccc2C1
chemicalCompound:molecularF...
C16H25NO
chemicalCompound:moleculeId
687
chemicalCompound:mwFreebase
247.376
chemicalCompound:alogp
4.287
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
23.47
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
10.543
chemicalCompound:acdLogP
3.55
chemicalCompound:acdLogD
1.68
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
247.376
chemicalCompound:acdMostBpk...
9.387
chemicalCompound:chemblId
CHEMBL269004
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100687
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:212992
,
activity:212993
,
activity:212994
,
activity:212995
,
activity:667493
,
activity:667494
,
activity:668066
,
activity:668067
,
activity:668068
,
activity:694194
,
activity:694195
,
activity:694196
,
activity:725493
,
activity:725494
,
activity:725495
,
activity:725496
,
activity:725497
,
activity:725498
,
activity:733848
,
activity:733849
,
activity:733850
,
activity:733851
,
activity:733852
,
activity:733853
,
activity:733854
,
activity:733855
,
activity:733856
,
activity:733857
,
activity:736400
,
activity:736401
,
activity:753021
,
activity:753022
,
activity:753023
,
activity:753024
,
activity:1234308
,
activity:1234309
,
activity:1234310
,
activity:2596985
,
activity:2597006
,
activity:2597027