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544421
Source:
http://linkedlifedata.com/resource/chembl/compound/544421
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Subject
(
36
)
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:94038
chemicalCompound:standardIn...
InChI=1S/C10H9NO2.BrH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h2-5,12-13H,1H3;1H
chemicalCompound:standardIn...
GOCYZNCNUPHYME-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Br.Cc1nccc2cc(O)c(O)cc12
chemicalCompound:molecularF...
C10H10BrNO2
chemicalCompound:moleculeId
544421
chemicalCompound:mwFreebase
175.184
chemicalCompound:alogp
1.386
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
53.35
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
7.047
chemicalCompound:acdLogP
2.506
chemicalCompound:acdLogD
2.028
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
256.096
chemicalCompound:chemblId
CHEMBL555558
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:644421
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:622160
,
activity:622161