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534193
Source:
http://linkedlifedata.com/resource/chembl/compound/534193
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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:1076
chemicalCompound:standardIn...
InChI=1S/C15H23N5.ClH/c1-14(2,3)10-6-8-11(9-7-10)20-13(17)18-12(16)19-15(20,4)5;/h6-9H,1-5H3,(H4,16,17,18,19);1H
chemicalCompound:standardIn...
PXFKORQYUISLFZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.CC(C)(C)c1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...
C15H24ClN5
chemicalCompound:moleculeId
534193
chemicalCompound:mwFreebase
273.377
chemicalCompound:alogp
2.359
chemicalCompound:hba
5
chemicalCompound:hbd
2
chemicalCompound:psa
80
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.38
chemicalCompound:acdLogD
0.466
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
309.838
chemicalCompound:acdMostBpk...
10.055
chemicalCompound:chemblId
CHEMBL532444
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:634193
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:2826926
,
activity:2842702
,
activity:2854994
,
activity:2855209
,
activity:2875444
,
activity:2880637