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1077152
Source:
http://linkedlifedata.com/resource/chembl/compound/1077152
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Subject
(
38
)
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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:synonym
synonym:1077152_2-Mercaptopyrimidine_OTHER
chemicalCompound:standardIn...
InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
chemicalCompound:standardIn...
HBCQSNAFLVXVAY-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Sc1ncccn1
chemicalCompound:molecularF...
C4H4N2S
chemicalCompound:moleculeId
1077152
chemicalCompound:mwFreebase
112.153
chemicalCompound:alogp
0.932
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
64.58
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
0.981
chemicalCompound:acdLogD
-0.558
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
112.153
chemicalCompound:acdMostBpk...
7.791
chemicalCompound:chemblId
CHEMBL1688952
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1177152
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:5297550
,
activity:5297596
,
activity:5297642
,
activity:5297657