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224942
Source:
http://linkedlifedata.com/resource/chembl/compound/224942
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Subject
(
35
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C24H34N2O2/c1-25(2)13-8-9-14-26-15-12-20-16-23(27-3)24(28-4)17-21(20)22(18-26)19-10-6-5-7-11-19/h5-7,10-11,16-17,22H,8-9,12-15,18H2,1-4H3
chemicalCompound:standardIn...
GYOHDBSQAACLOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1cc2CCN(CCCCN(C)C)CC(c3ccccc3)c2cc1OC
chemicalCompound:molecularF...
C24 H34 N2 O2
chemicalCompound:moleculeId
224942
chemicalCompound:mwFreebase
382.539
chemicalCompound:alogp
4.399
chemicalCompound:hba
4
chemicalCompound:hbd
0
chemicalCompound:psa
24.94
chemicalCompound:rtb
8
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.779
chemicalCompound:acdLogD
1
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
382.539
chemicalCompound:acdMostBpk...
9.734
chemicalCompound:chemblId
CHEMBL133086
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:324942
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:1163287
,
activity:1163288