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1012294
Source:
http://linkedlifedata.com/resource/chembl/compound/1012294
Search
Subject
Predicate
Object
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(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:1012294
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:1012294
chemicalCompound:standardIn...
InChI=1S/C16H13N3O4/c1-8-12(14(20)22-2)16(10(7-17)13(18)23-8)9-5-3-4-6-11(9)19-15(16)21/h3-6H,18H2,1-2H3,(H,19,21)
lld:chembl
chemicalCompound:1012294
chemicalCompound:standardIn...
VAFPLRVGDUHTRR-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1012294
chemicalCompound:canonicalS...
COC(=O)C1=C(C)OC(=C(C#N)C12C(=O)Nc3ccccc23)N
lld:chembl
chemicalCompound:1012294
chemicalCompound:molecularF...
C16H13N3O4
lld:chembl
chemicalCompound:1012294
chemicalCompound:moleculeId
1012294
lld:chembl
chemicalCompound:1012294
chemicalCompound:mwFreebase
311.292
lld:chembl
chemicalCompound:1012294
chemicalCompound:alogp
0.289
lld:chembl
chemicalCompound:1012294
chemicalCompound:hba
6
lld:chembl
chemicalCompound:1012294
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:1012294
chemicalCompound:psa
114.44
lld:chembl
chemicalCompound:1012294
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:1012294
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1012294
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:1012294
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:1012294
chemicalCompound:acdMostApk...
10.153
lld:chembl
chemicalCompound:1012294
chemicalCompound:acdLogP
0
lld:chembl
chemicalCompound:1012294
chemicalCompound:acdLogD
-0.001
lld:chembl
chemicalCompound:1012294
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:1012294
chemicalCompound:fullMwt
311.292
lld:chembl
chemicalCompound:1012294
chemicalCompound:acdMostBpk...
1.045
lld:chembl
chemicalCompound:1012294
chemicalCompound:chemblId
CHEMBL1588410
lld:chembl
chemicalCompound:1012294
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1012294
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1012294
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1012294
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1012294
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1012294
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1012294
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1012294
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1012294
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1012294
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1012294
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1012294
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:1012294
chemicalCompound:activity
activity:4403534
lld:chembl
chemicalCompound:1012294
chemicalCompound:activity
activity:4616125
lld:chembl
chemicalCompound:1012294
chemicalCompound:activity
activity:7091307
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1012294
lld:chembl