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Sources
1440
Source:
http://linkedlifedata.com/resource/chembl/compound/1440
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Subject
(
43
)
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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:standardIn...
InChI=1S/C11H14IN5/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)
chemicalCompound:standardIn...
JRPWIFUWNNYKIU-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CC1(C)N=C(N)N=C(N)N1c2ccc(I)cc2
chemicalCompound:molecularF...
C11 H14 I N5
chemicalCompound:moleculeId
1440
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
343.167
chemicalCompound:acdMostBpk...
9.304
chemicalCompound:chemblId
CHEMBL7341
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:101440
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:367904
,
activity:376395
,
activity:507106
,
activity:516995
,
activity:577580
,
activity:577581
,
activity:951652
,
activity:951653
,
activity:1103004
,
activity:1103005