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536483
Source:
http://linkedlifedata.com/resource/chembl/compound/536483
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Subject
(
40
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:1228
chemicalCompound:standardIn...
InChI=1S/C11H14IN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H
chemicalCompound:standardIn...
SWLIGHXFJAWTGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.CC1(C)N=C(N)N=C(N)N1c2cccc(I)c2
chemicalCompound:molecularF...
C11H15ClIN5
chemicalCompound:moleculeId
536483
chemicalCompound:mwFreebase
343.167
chemicalCompound:alogp
1.537
chemicalCompound:hba
5
chemicalCompound:hbd
2
chemicalCompound:psa
80
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.443
chemicalCompound:acdLogD
-0.197
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
379.628
chemicalCompound:acdMostBpk...
9.28
chemicalCompound:chemblId
CHEMBL580521
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:636483
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:2826028
,
activity:2865747
,
activity:2867591
,
activity:2869865
,
activity:2872262
,
activity:2879573