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Sources
447070
Source:
http://linkedlifedata.com/resource/chembl/compound/447070
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Subject
(
37
)
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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:1219
chemicalCompound:standardIn...
InChI=1S/C27H38N2O4.CH4O2S2/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;1-5(2,3)4/h9-12,17-18,20H,8,13-16H2,1-7H3;1H3,(H,2,3,4)
chemicalCompound:standardIn...
RDXCNJLZKNMWQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC.CS(=O)(=S)O
chemicalCompound:molecularF...
C28H42N2O6S2
chemicalCompound:moleculeId
447070
chemicalCompound:mwFreebase
454.602
chemicalCompound:alogp
5.534
chemicalCompound:hba
6
chemicalCompound:hbd
0
chemicalCompound:psa
63.95
chemicalCompound:rtb
13
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.024
chemicalCompound:acdLogD
2.455
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
566.773
chemicalCompound:acdMostBpk...
8.97
chemicalCompound:chemblId
CHEMBL486033
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:547070
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:2186647
,
activity:2186648
,
activity:2186649