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Sources
880
Source:
http://linkedlifedata.com/resource/chembl/compound/880
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Subject
(
42
)
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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/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3
chemicalCompound:standardIn...
IMYZQPCYWPFTAG-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CNC1(C)C2CCC(C2)C1(C)C
chemicalCompound:molecularF...
C11 H21 N
chemicalCompound:moleculeId
880
chemicalCompound:mwFreebase
167.291
chemicalCompound:alogp
2.183
chemicalCompound:hba
1
chemicalCompound:hbd
1
chemicalCompound:psa
12.03
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.978
chemicalCompound:acdLogD
-0.065
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
167.291
chemicalCompound:acdMostBpk...
11.353
chemicalCompound:chemblId
CHEMBL267936
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100880
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
MECAMYLAMINE
chemicalCompound:activity
activity:3655916
,
activity:5976223
,
activity:6480042
,
activity:6888840
,
activity:7431822
,
activity:7440529
,
activity:7453108
,
activity:7521237