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1122557
Source:
http://linkedlifedata.com/resource/chembl/compound/1122557
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Subject
(
40
)
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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:929
chemicalCompound:standardIn...
InChI=1S/C12H13BrN4.ClH/c13-9-1-2-10-11(7-9)15-8-12(16-10)17-5-3-14-4-6-17;/h1-2,7-8,14H,3-6H2;1H
chemicalCompound:standardIn...
QSPXECUEPTWYOW-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.Brc1ccc2nc(cnc2c1)N3CCNCC3
chemicalCompound:molecularF...
C12H14BrClN4
chemicalCompound:moleculeId
1122557
chemicalCompound:mwFreebase
293.162
chemicalCompound:alogp
2.165
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
41.05
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.879
chemicalCompound:acdLogD
0.989
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
329.623
chemicalCompound:acdMostBpk...
8.265
chemicalCompound:chemblId
CHEMBL1743986
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1222557
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:1055188
,
activity:1055189
,
activity:1055190
,
activity:1055191
,
activity:1055192
,
activity:1055193