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Sources
112
Source:
http://linkedlifedata.com/resource/chembl/compound/112
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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:112
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:112
chemicalCompound:standardIn...
InChI=1S/C22H25N5O4/c1-29-18-12-16-17(13-19(18)30-2)24-22(25-21(16)23)27-10-8-26(9-11-27)20(28)14-31-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H2,23,24,25)
lld:chembl
chemicalCompound:112
chemicalCompound:standardIn...
NRCCKHYOMABEPC-UHFFFAOYSA-N
lld:chembl
chemicalCompound:112
chemicalCompound:canonicalS...
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)COc4ccccc4
lld:chembl
chemicalCompound:112
chemicalCompound:molecularF...
C22 H25 N5 O4
lld:chembl
chemicalCompound:112
chemicalCompound:moleculeId
112
lld:chembl
chemicalCompound:112
chemicalCompound:mwFreebase
423.465
lld:chembl
chemicalCompound:112
chemicalCompound:alogp
1.927
lld:chembl
chemicalCompound:112
chemicalCompound:hba
8
lld:chembl
chemicalCompound:112
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:112
chemicalCompound:psa
103.04
lld:chembl
chemicalCompound:112
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:112
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:112
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:112
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:112
chemicalCompound:acdLogP
2.078
lld:chembl
chemicalCompound:112
chemicalCompound:acdLogD
2.024
lld:chembl
chemicalCompound:112
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:112
chemicalCompound:fullMwt
423.465
lld:chembl
chemicalCompound:112
chemicalCompound:acdMostBpk...
6.524
lld:chembl
chemicalCompound:112
chemicalCompound:chemblId
CHEMBL6366
lld:chembl
chemicalCompound:112
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:112
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:112
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:112
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:112
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:112
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:112
chemicalCompound:oral
No
lld:chembl
chemicalCompound:112
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:112
chemicalCompound:topical
No
lld:chembl
chemicalCompound:112
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:112
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:112
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:112
chemicalCompound:activity
activity:314715
lld:chembl
chemicalCompound:112
chemicalCompound:activity
activity:314716
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:112
lld:chembl