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550618
Source:
http://linkedlifedata.com/resource/chembl/compound/550618
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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:parent
chemicalCompound:663116
chemicalCompound:standardIn...
InChI=1S/C6H11N3O2.ClH/c1-11-5(10)4-2-8-6(7)9-3-4;/h4H,2-3H2,1H3,(H3,7,8,9);1H
chemicalCompound:standardIn...
DSCQSUGSHLNSTF-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.COC(=O)C1CNC(=NC1)N
chemicalCompound:molecularF...
C6H12ClN3O2
chemicalCompound:moleculeId
550618
chemicalCompound:mwFreebase
157.17
chemicalCompound:alogp
-0.891
chemicalCompound:hba
5
chemicalCompound:hbd
2
chemicalCompound:psa
76.71
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
-0.583
chemicalCompound:acdLogD
-2.583
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
193.631
chemicalCompound:acdMostBpk...
12.797
chemicalCompound:chemblId
CHEMBL538224
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:650618
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:174913
,
activity:174914
,
activity:324105
,
activity:324106