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Sources
68
Source:
http://linkedlifedata.com/resource/chembl/compound/68
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Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:68
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:68
chemicalCompound:standardIn...
InChI=1S/C21H24N6O3/c1-29-17-12-15-16(13-18(17)30-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(28)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,28)(H2,22,24,25)
lld:chembl
chemicalCompound:68
chemicalCompound:standardIn...
LWEWMCLJACLWLE-UHFFFAOYSA-N
lld:chembl
chemicalCompound:68
chemicalCompound:canonicalS...
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)Nc4ccccc4
lld:chembl
chemicalCompound:68
chemicalCompound:molecularF...
C21 H24 N6 O3
lld:chembl
chemicalCompound:68
chemicalCompound:moleculeId
68
lld:chembl
chemicalCompound:68
chemicalCompound:mwFreebase
408.454
lld:chembl
chemicalCompound:68
chemicalCompound:alogp
2
lld:chembl
chemicalCompound:68
chemicalCompound:hba
7
lld:chembl
chemicalCompound:68
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:68
chemicalCompound:psa
105.84
lld:chembl
chemicalCompound:68
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:68
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:68
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:68
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:68
chemicalCompound:acdMostApk...
13.942
lld:chembl
chemicalCompound:68
chemicalCompound:acdLogP
2.247
lld:chembl
chemicalCompound:68
chemicalCompound:acdLogD
2.182
lld:chembl
chemicalCompound:68
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:68
chemicalCompound:fullMwt
408.454
lld:chembl
chemicalCompound:68
chemicalCompound:acdMostBpk...
6.529
lld:chembl
chemicalCompound:68
chemicalCompound:chemblId
CHEMBL6218
lld:chembl
chemicalCompound:68
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:68
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:68
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:68
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:68
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:68
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:68
chemicalCompound:oral
No
lld:chembl
chemicalCompound:68
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:68
chemicalCompound:topical
No
lld:chembl
chemicalCompound:68
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:68
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:68
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:68
chemicalCompound:activity
activity:335088
lld:chembl
chemicalCompound:68
chemicalCompound:activity
activity:335089
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:68
lld:chembl