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Sources
122
Source:
http://linkedlifedata.com/resource/chembl/compound/122
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Subject
(
35
)
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Inference
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C15H24N4/c1-2-15(17-5-1)13-19-10-8-18(9-11-19)12-14-3-6-16-7-4-14/h3-4,6-7,15,17H,1-2,5,8-13H2/t15-/m0/s1
chemicalCompound:standardIn...
VPZLPAKJZIZIHZ-HNNXBMFYSA-N
chemicalCompound:canonicalS...
C([C@@H]1CCCN1)N2CCN(Cc3ccncc3)CC2
chemicalCompound:molecularF...
C15 H24 N4
chemicalCompound:moleculeId
122
chemicalCompound:mwFreebase
260.378
chemicalCompound:alogp
0.802
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
31.4
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.461
chemicalCompound:acdLogD
-2.524
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
260.378
chemicalCompound:acdMostBpk...
11.181
chemicalCompound:chemblId
CHEMBL6334
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100122
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:836256
,
activity:836257