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Sources
652380
Source:
http://linkedlifedata.com/resource/chembl/compound/652380
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Subject
(
32
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C12H20N4O4/c1-5-14-6-7-15(11(14)8-13-17)9-20-12(3,4)10(2)16(18)19/h6-8,10H,5,9H2,1-4H3/p+1
chemicalCompound:standardIn...
DSVGWOKEGVXHOY-UHFFFAOYSA-O
chemicalCompound:canonicalS...
CC[n+]1ccn(COC(C)(C)C(C)[N+](=O)[O-])c1\C=N\O
chemicalCompound:molecularF...
C12H21N4O4
chemicalCompound:moleculeId
652380
chemicalCompound:mwFreebase
285.32
chemicalCompound:alogp
2
chemicalCompound:hba
5
chemicalCompound:hbd
1
chemicalCompound:psa
96.45
chemicalCompound:rtb
7
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
6.945
chemicalCompound:acdLogP
-1.273
chemicalCompound:acdLogD
-0.821
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
285.32
chemicalCompound:chemblId
CHEMBL1178430
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:752380
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No