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549061
Source:
http://linkedlifedata.com/resource/chembl/compound/549061
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Subject
(
35
)
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:661935
chemicalCompound:standardIn...
InChI=1S/C13H16N2.ClH/c1-2-6-13-12(5-1)10(9-15-13)8-11-4-3-7-14-11;/h1-2,5-6,9,11,14-15H,3-4,7-8H2;1H/t11-;/m0./s1
chemicalCompound:standardIn...
KUOZRHKNZSRHIK-MERQFXBCSA-N
chemicalCompound:canonicalS...
Cl.C([C@@H]1CCCN1)c2c[nH]c3ccccc23
chemicalCompound:molecularF...
C13H17ClN2
chemicalCompound:moleculeId
549061
chemicalCompound:mwFreebase
200.28
chemicalCompound:alogp
2.472
chemicalCompound:hba
1
chemicalCompound:hbd
2
chemicalCompound:psa
27.82
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.414
chemicalCompound:acdLogD
-0.588
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
236.74
chemicalCompound:acdMostBpk...
11.052
chemicalCompound:chemblId
CHEMBL534703
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:649061
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:1474982