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1239287
Source:
http://linkedlifedata.com/resource/chembl/compound/1239287
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Subject
(
35
)
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Inference
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Explicit only
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C14H19N3O4/c1-20-9-3-4-10(12(7-9)21-2)17-13(18)8-11-14(19)16-6-5-15-11/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,16,19)(H,17,18)
chemicalCompound:standardIn...
QVTJXYPNMNRGMG-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1ccc(NC(=O)CC2NCCNC2=O)c(OC)c1
chemicalCompound:molecularF...
C14H19N3O4
chemicalCompound:moleculeId
1239287
chemicalCompound:mwFreebase
293.318
chemicalCompound:alogp
-0.351
chemicalCompound:hba
5
chemicalCompound:hbd
3
chemicalCompound:psa
88.69
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.221
chemicalCompound:acdLogP
0
chemicalCompound:acdLogD
-0.024
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
293.318
chemicalCompound:acdMostBpk...
7.017
chemicalCompound:chemblId
CHEMBL1898716
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1339287
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:7347162