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Sources
360361
Source:
http://linkedlifedata.com/resource/chembl/compound/360361
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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:1364
chemicalCompound:standardIn...
InChI=1S/C10H14N2O.ClH/c1-8(13)12-7-10-4-2-3-9(5-10)6-11;/h2-5H,6-7,11H2,1H3,(H,12,13);1H
chemicalCompound:standardIn...
IQTHDQZAFNDDSA-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.CC(=O)NCc1cccc(CN)c1
chemicalCompound:molecularF...
C10H15ClN2O
chemicalCompound:moleculeId
360361
chemicalCompound:mwFreebase
178.231
chemicalCompound:alogp
0.063
chemicalCompound:hba
2
chemicalCompound:hbd
2
chemicalCompound:psa
55.12
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.164
chemicalCompound:acdLogD
-1.432
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
214.692
chemicalCompound:acdMostBpk...
9.039
chemicalCompound:chemblId
CHEMBL217226
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:460361
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:1773608
,
activity:1773618