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1041944
Source:
http://linkedlifedata.com/resource/chembl/compound/1041944
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Subject
(
32
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C13H17ClN2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,15,16)
chemicalCompound:standardIn...
ZMFKHOUYJSTZEL-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Clc1ccc(cc1)C(=N)NC2CCCCC2
chemicalCompound:molecularF...
C13H17ClN2
chemicalCompound:moleculeId
1041944
chemicalCompound:mwFreebase
236.74
chemicalCompound:alogp
3.615
chemicalCompound:hba
1
chemicalCompound:hbd
2
chemicalCompound:psa
35.88
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.925
chemicalCompound:acdLogD
1.932
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
236.74
chemicalCompound:acdMostBpk...
11.189
chemicalCompound:chemblId
CHEMBL1618993
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1141944
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No