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Sources
101
Source:
http://linkedlifedata.com/resource/chembl/compound/101
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Subject
Predicate
Object
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(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:101
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:101
chemicalCompound:standardIn...
InChI=1S/C25H25N5O3/c1-32-21-14-19-20(15-22(21)33-2)27-25(28-23(19)26)30-11-9-29(10-12-30)24(31)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13-15H,9-12H2,1-2H3,(H2,26,27,28)
lld:chembl
chemicalCompound:101
chemicalCompound:standardIn...
RNQYGMOUFHXINE-UHFFFAOYSA-N
lld:chembl
chemicalCompound:101
chemicalCompound:canonicalS...
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccc5ccccc5c4
lld:chembl
chemicalCompound:101
chemicalCompound:molecularF...
C25 H25 N5 O3
lld:chembl
chemicalCompound:101
chemicalCompound:moleculeId
101
lld:chembl
chemicalCompound:101
chemicalCompound:mwFreebase
443.498
lld:chembl
chemicalCompound:101
chemicalCompound:alogp
3
lld:chembl
chemicalCompound:101
chemicalCompound:hba
7
lld:chembl
chemicalCompound:101
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:101
chemicalCompound:psa
93.81
lld:chembl
chemicalCompound:101
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:101
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:101
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:101
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:101
chemicalCompound:acdLogP
3.625
lld:chembl
chemicalCompound:101
chemicalCompound:acdLogD
3.57
lld:chembl
chemicalCompound:101
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:101
chemicalCompound:fullMwt
443.498
lld:chembl
chemicalCompound:101
chemicalCompound:acdMostBpk...
6.524
lld:chembl
chemicalCompound:101
chemicalCompound:chemblId
CHEMBL6323
lld:chembl
chemicalCompound:101
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:101
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:101
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:101
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:101
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:101
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:101
chemicalCompound:oral
No
lld:chembl
chemicalCompound:101
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:101
chemicalCompound:topical
No
lld:chembl
chemicalCompound:101
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:101
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:101
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:101
chemicalCompound:activity
activity:341462
lld:chembl
chemicalCompound:101
chemicalCompound:activity
activity:341463
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:101
lld:chembl