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666979
Source:
http://linkedlifedata.com/resource/chembl/compound/666979
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Subject
Predicate
Object
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(
33
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:666979
chemicalCompound:standardIn...
InChI=1S/C20H23N5O/c21-13-19(18-7-4-8-22-15-18)24-9-11-25(12-10-24)20(26)16-23-14-17-5-2-1-3-6-17/h1-8,15,19,23H,9-12,14,16H2
lld:chembl
chemicalCompound:666979
chemicalCompound:standardIn...
GVUJQWOKYZHMNW-UHFFFAOYSA-N
lld:chembl
chemicalCompound:666979
chemicalCompound:canonicalS...
O=C(CNCc1ccccc1)N2CCN(CC2)C(C#N)c3cccnc3
lld:chembl
chemicalCompound:666979
chemicalCompound:molecularF...
C20H23N5O
lld:chembl
chemicalCompound:666979
chemicalCompound:moleculeId
666979
lld:chembl
chemicalCompound:666979
chemicalCompound:mwFreebase
349.43
lld:chembl
chemicalCompound:666979
chemicalCompound:alogp
0.889
lld:chembl
chemicalCompound:666979
chemicalCompound:hba
5
lld:chembl
chemicalCompound:666979
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:666979
chemicalCompound:psa
72.26
lld:chembl
chemicalCompound:666979
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:666979
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:666979
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:666979
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:666979
chemicalCompound:acdLogP
1.568
lld:chembl
chemicalCompound:666979
chemicalCompound:acdLogD
1
lld:chembl
chemicalCompound:666979
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:666979
chemicalCompound:fullMwt
349.43
lld:chembl
chemicalCompound:666979
chemicalCompound:acdMostBpk...
7.836
lld:chembl
chemicalCompound:666979
chemicalCompound:chemblId
CHEMBL1193029
lld:chembl
chemicalCompound:666979
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:666979
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:666979
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:666979
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:666979
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:666979
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:666979
chemicalCompound:oral
No
lld:chembl
chemicalCompound:666979
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:666979
chemicalCompound:topical
No
lld:chembl
chemicalCompound:666979
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:666979
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:666979
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:547311
chemicalCompound:parent
chemicalCompound:666979
lld:chembl