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608408
Source:
http://linkedlifedata.com/resource/chembl/compound/608408
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Subject
(
33
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:201889
chemicalCompound:standardIn...
InChI=1S/C14H15N2O3.C2H2O4/c17-16(18)12-3-5-13(6-4-12)19-14-7-9-15(10-8-14)11-1-2-11;3-1(4)2(5)6/h3-7,9,11H,1-2,8,10H2;(H,3,4)(H,5,6)/q+1;/p-1
chemicalCompound:standardIn...
MZBDSXZDUZKYQD-UHFFFAOYSA-M
chemicalCompound:canonicalS...
OC(=O)C(=O)[O-].[O-][N+](=O)c1ccc(OC2=CC=[N+](CC2)C3CC3)cc1
chemicalCompound:molecularF...
C16H16N2O7
chemicalCompound:moleculeId
608408
chemicalCompound:mwFreebase
259.28
chemicalCompound:alogp
2.258
chemicalCompound:hba
0
chemicalCompound:hbd
4
chemicalCompound:psa
58.06
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
-3.37
chemicalCompound:acdLogD
-3.37
chemicalCompound:fullMwt
348.307
chemicalCompound:chemblId
CHEMBL609457
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:708408
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:978843