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Sources
541420
Source:
http://linkedlifedata.com/resource/chembl/compound/541420
Search
Subject
(
48
)
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
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:1440
chemicalCompound:synonym
synonym:541420_GNF-PF-809_RESEARCH_CODE
chemicalCompound:standardIn...
InChI=1S/C11H14IN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H
chemicalCompound:standardIn...
NEQNCZGHWPBGGJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.CC1(C)N=C(N)N=C(N)N1c2ccc(I)cc2
chemicalCompound:molecularF...
C11H15ClIN5
chemicalCompound:moleculeId
541420
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
1.427
chemicalCompound:acdLogD
-0.226
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
379.628
chemicalCompound:acdMostBpk...
9.304
chemicalCompound:chemblId
CHEMBL535267
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:641420
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:2839035
,
activity:2845031
,
activity:2856247
,
activity:2858430
,
activity:2885907
,
activity:2889089
,
activity:3025257
,
activity:3027054
,
activity:3029062
,
activity:3029947
,
activity:6233658
,
activity:6233781
,
activity:6234290