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458832
Source:
http://linkedlifedata.com/resource/chembl/compound/458832
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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:458832
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:458832
chemicalCompound:synonym
synonym:458832_NSC-102938_R...
lld:chembl
chemicalCompound:458832
chemicalCompound:standardIn...
InChI=1S/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,12H,1-2H3
lld:chembl
chemicalCompound:458832
chemicalCompound:standardIn...
OTWXNFLYCUROMG-UHFFFAOYSA-N
lld:chembl
chemicalCompound:458832
chemicalCompound:canonicalS...
CC(=O)C(=NNc1ccccc1)C(=O)C
lld:chembl
chemicalCompound:458832
chemicalCompound:molecularF...
C11H12N2O2
lld:chembl
chemicalCompound:458832
chemicalCompound:moleculeId
458832
lld:chembl
chemicalCompound:458832
chemicalCompound:mwFreebase
204.225
lld:chembl
chemicalCompound:458832
chemicalCompound:alogp
1.507
lld:chembl
chemicalCompound:458832
chemicalCompound:hba
4
lld:chembl
chemicalCompound:458832
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:458832
chemicalCompound:psa
58.53
lld:chembl
chemicalCompound:458832
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:458832
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:458832
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:458832
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:458832
chemicalCompound:acdMostApk...
5.664
lld:chembl
chemicalCompound:458832
chemicalCompound:acdLogP
1.253
lld:chembl
chemicalCompound:458832
chemicalCompound:acdLogD
-0.303
lld:chembl
chemicalCompound:458832
chemicalCompound:molecularS...
molecularSpecies:ACID
lld:chembl
chemicalCompound:458832
chemicalCompound:fullMwt
204.225
lld:chembl
chemicalCompound:458832
chemicalCompound:chemblId
CHEMBL463689
lld:chembl
chemicalCompound:458832
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:458832
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:458832
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:458832
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:458832
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:458832
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:458832
chemicalCompound:oral
No
lld:chembl
chemicalCompound:458832
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:458832
chemicalCompound:topical
No
lld:chembl
chemicalCompound:458832
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:458832
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:458832
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:458832
chemicalCompound:activity
activity:2610264
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:458832
lld:chembl