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Sources
544565
Source:
http://linkedlifedata.com/resource/chembl/compound/544565
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Subject
(
36
)
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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:parent
chemicalCompound:16814
chemicalCompound:standardIn...
InChI=1S/C9H9N3S.ClH/c1-2-8-9(12-13-11-8)7-5-10-4-3-6(1)7;/h1-2,10H,3-5H2;1H
chemicalCompound:standardIn...
QRWMNXVMUCWLTL-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.C1Cc2ccc3nsnc3c2CN1
chemicalCompound:molecularF...
C9H10ClN3S
chemicalCompound:moleculeId
544565
chemicalCompound:mwFreebase
191.253
chemicalCompound:alogp
1.57
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
66.05
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.374
chemicalCompound:acdLogD
1.075
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
227.714
chemicalCompound:acdMostBpk...
7.702
chemicalCompound:chemblId
CHEMBL542604
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:644565
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:1272574
,
activity:1272575