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Sources
488227
Source:
http://linkedlifedata.com/resource/chembl/compound/488227
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Subject
(
34
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C15H10BrClN2O3/c16-10-2-1-3-11(8-10)21-13-6-9(4-5-12(13)17)7-14-18-19-15(20)22-14/h1-6,8H,7H2,(H,19,20)
chemicalCompound:standardIn...
QDAOBHRTBUFXHG-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Clc1ccc(CC2=NNC(=O)O2)cc1Oc3cccc(Br)c3
chemicalCompound:molecularF...
C15H10BrClN2O3
chemicalCompound:moleculeId
488227
chemicalCompound:mwFreebase
381.608
chemicalCompound:alogp
4.529
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
59.92
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
6.03
chemicalCompound:acdLogP
3.939
chemicalCompound:acdLogD
2.642
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
381.608
chemicalCompound:chemblId
CHEMBL467168
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:588227
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:2564252