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Sources
995
Source:
http://linkedlifedata.com/resource/chembl/compound/995
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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/C12H13N5O2/c18-17(19)9-1-2-10-11(7-9)15-12(8-14-10)16-5-3-13-4-6-16/h1-2,7-8,13H,3-6H2
chemicalCompound:standardIn...
YVJPQBRGBKYLRH-UHFFFAOYSA-N
chemicalCompound:canonicalS...
[O-][N+](=O)c1ccc2ncc(nc2c1)N3CCNCC3
chemicalCompound:molecularF...
C12H13N5O2
chemicalCompound:moleculeId
995
chemicalCompound:mwFreebase
259.264
chemicalCompound:alogp
1.311
chemicalCompound:hba
6
chemicalCompound:hbd
1
chemicalCompound:psa
86.87
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
0.716
chemicalCompound:acdLogD
-0.153
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
259.264
chemicalCompound:acdMostBpk...
8.239
chemicalCompound:chemblId
CHEMBL266170
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100995
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No