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705703
Source:
http://linkedlifedata.com/resource/chembl/compound/705703
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Subject
(
35
)
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:2076
chemicalCompound:standardIn...
InChI=1S/C12H18N2O.C4H4O4/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;5-3(6)1-2-4(7)8/h1-2,5-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
chemicalCompound:standardIn...
MJGFRCJYQMJRJH-WLHGVMLRSA-N
chemicalCompound:canonicalS...
OC(=O)\C=C\C(=O)O.O=C1CCCN1CC#CCN2CCCC2
chemicalCompound:molecularF...
C16H22N2O5
chemicalCompound:moleculeId
705703
chemicalCompound:mwFreebase
206.284
chemicalCompound:alogp
1.025
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
23.55
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.56
chemicalCompound:acdLogD
0.637
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
322.356
chemicalCompound:acdMostBpk...
8.289
chemicalCompound:chemblId
CHEMBL1256711
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:805703
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:3473193