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182
Source:
http://linkedlifedata.com/resource/chembl/compound/182
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Subject
(
34
)
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Inference
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Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C22H30N2O6/c1-25-17-11-15(12-18(26-2)21(17)29-5)23-7-9-24(10-8-23)16-13-19(27-3)22(30-6)20(14-16)28-4/h11-14H,7-10H2,1-6H3
chemicalCompound:standardIn...
VCGBVLOXSFYYES-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1cc(cc(OC)c1OC)N2CCN(CC2)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...
C22 H30 N2 O6
chemicalCompound:moleculeId
182
chemicalCompound:mwFreebase
418.483
chemicalCompound:alogp
3.523
chemicalCompound:hba
8
chemicalCompound:hbd
0
chemicalCompound:psa
61.86
chemicalCompound:rtb
8
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.762
chemicalCompound:acdLogD
2.752
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
418.483
chemicalCompound:acdMostBpk...
5.738
chemicalCompound:chemblId
CHEMBL267229
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100182
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:37222