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1327244
Source:
http://linkedlifedata.com/resource/chembl/compound/1327244
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Subject
(
35
)
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Inference
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Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C15H14BrN7O/c1-23-8-11(6-19-23)21-15-18-7-12(16)14(22-15)20-10-4-2-3-9(5-10)13(17)24/h2-8H,1H3,(H2,17,24)(H2,18,20,21,22)
chemicalCompound:standardIn...
LDCRXINUMOULCK-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cn1cc(Nc2ncc(Br)c(Nc3cccc(c3)C(=O)N)n2)cn1
chemicalCompound:molecularF...
C15H14BrN7O
chemicalCompound:moleculeId
1327244
chemicalCompound:mwFreebase
388.222
chemicalCompound:alogp
2.612
chemicalCompound:hba
6
chemicalCompound:hbd
3
chemicalCompound:psa
110.75
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.194
chemicalCompound:acdLogD
1.193
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
388.222
chemicalCompound:acdMostBpk...
3.793
chemicalCompound:chemblId
CHEMBL2005953
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1427244
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:9516389
,
activity:9648156