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1120253
Source:
http://linkedlifedata.com/resource/chembl/compound/1120253
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Subject
(
40
)
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Object
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Inference
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:147
chemicalCompound:standardIn...
InChI=1S/C12H12N2O3.Na.H2O/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;;/h4-6H,3H2,1-2H3,(H,16,17);;1H2/q;+1;/p-1
chemicalCompound:standardIn...
OWEXQJSSKQXXSX-UHFFFAOYSA-M
chemicalCompound:canonicalS...
O.[Na+].CCN1C=C(C(=O)[O-])C(=O)c2ccc(C)nc12
chemicalCompound:molecularF...
C12H13N2NaO4
chemicalCompound:moleculeId
1120253
chemicalCompound:mwFreebase
232.235
chemicalCompound:alogp
0.556
chemicalCompound:hba
1
chemicalCompound:hbd
2
chemicalCompound:psa
70.5
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
3.454
chemicalCompound:acdLogP
0.025
chemicalCompound:acdLogD
-1.536
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
272.232
chemicalCompound:acdMostBpk...
6.117
chemicalCompound:chemblId
CHEMBL1741367
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1220253
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:5996871
,
activity:6004509
,
activity:6033188
,
activity:6063656
,
activity:6070650