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642261
Source:
http://linkedlifedata.com/resource/chembl/compound/642261
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Subject
(
35
)
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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/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3/t10-,13+/m0/s1
chemicalCompound:standardIn...
HUYWAWARQUIQLE-GXFFZTMASA-N
chemicalCompound:canonicalS...
CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c(O)c1
chemicalCompound:molecularF...
C13H21NO3
chemicalCompound:moleculeId
642261
chemicalCompound:mwFreebase
239.311
chemicalCompound:alogp
2
chemicalCompound:hba
4
chemicalCompound:hbd
4
chemicalCompound:psa
72.72
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.59
chemicalCompound:acdLogP
1.187
chemicalCompound:acdLogD
-0.842
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
239.311
chemicalCompound:acdMostBpk...
9.439
chemicalCompound:chemblId
CHEMBL1160722
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:742261
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:122728