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Sources
543623
Source:
http://linkedlifedata.com/resource/chembl/compound/543623
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Subject
(
37
)
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:8910
chemicalCompound:standardIn...
InChI=1S/C5H9N3.BrH/c6-2-1-5-3-7-4-8-5;/h3-4H,1-2,6H2,(H,7,8);1H
chemicalCompound:standardIn...
VUDHVJRPCZJVTF-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Br.NCCc1c[nH]cn1
chemicalCompound:molecularF...
C5H10BrN3
chemicalCompound:moleculeId
543623
chemicalCompound:mwFreebase
111.145
chemicalCompound:alogp
-0.714
chemicalCompound:hba
2
chemicalCompound:hbd
2
chemicalCompound:psa
54.7
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
-0.7
chemicalCompound:acdLogD
-2.697
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
192.057
chemicalCompound:acdMostBpk...
9.26
chemicalCompound:chemblId
CHEMBL544208
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:643623
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
HISTAMINE BROMIDE
chemicalCompound:activity
activity:164360
,
activity:164361