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Sources
4652
Source:
http://linkedlifedata.com/resource/chembl/compound/4652
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Subject
Predicate
Object
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(
34
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:4652
chemicalCompound:standardIn...
InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
lld:chembl
chemicalCompound:4652
chemicalCompound:standardIn...
MEZLKOACVSPNER-UHFFFAOYSA-N
lld:chembl
chemicalCompound:4652
chemicalCompound:canonicalS...
CC(Cc1ccccc1)N(C)CC#C
lld:chembl
chemicalCompound:4652
chemicalCompound:molecularF...
C13H17N
lld:chembl
chemicalCompound:4652
chemicalCompound:moleculeId
4652
lld:chembl
chemicalCompound:4652
chemicalCompound:mwFreebase
187.281
lld:chembl
chemicalCompound:4652
chemicalCompound:alogp
3.794
lld:chembl
chemicalCompound:4652
chemicalCompound:hba
1
lld:chembl
chemicalCompound:4652
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:4652
chemicalCompound:psa
3.24
lld:chembl
chemicalCompound:4652
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:4652
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:4652
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:4652
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:4652
chemicalCompound:acdLogP
2.682
lld:chembl
chemicalCompound:4652
chemicalCompound:acdLogD
2.31
lld:chembl
chemicalCompound:4652
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:4652
chemicalCompound:fullMwt
187.281
lld:chembl
chemicalCompound:4652
chemicalCompound:acdMostBpk...
7.532
lld:chembl
chemicalCompound:4652
chemicalCompound:chemblId
CHEMBL8663
lld:chembl
chemicalCompound:4652
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:4652
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:4652
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:4652
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:4652
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:4652
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:4652
chemicalCompound:oral
No
lld:chembl
chemicalCompound:4652
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:4652
chemicalCompound:topical
No
lld:chembl
chemicalCompound:4652
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:4652
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:4652
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:4652
chemicalCompound:chebiParen...
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:738293
chemicalCompound:parent
chemicalCompound:4652
lld:chembl