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83342
Source:
http://linkedlifedata.com/resource/chembl/compound/83342
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Subject
(
44
)
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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/C22H22ClN5O2/c23-16-6-2-4-8-18(16)27-12-9-26(10-13-27)11-14-28-21(29)20-19(25-22(28)30)15-5-1-3-7-17(15)24-20/h1-8,24H,9-14H2,(H,25,30)
chemicalCompound:standardIn...
FKIGXRKDASCJOU-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Clc1ccccc1N2CCN(CCN3C(=O)Nc4c([nH]c5ccccc45)C3=O)CC2
chemicalCompound:molecularF...
C22 H22 Cl N5 O2
chemicalCompound:moleculeId
83342
chemicalCompound:mwFreebase
423.895
chemicalCompound:alogp
3.788
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
71.68
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.017
chemicalCompound:acdLogP
4.073
chemicalCompound:acdLogD
4.029
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
423.895
chemicalCompound:acdMostBpk...
7.078
chemicalCompound:chemblId
CHEMBL57163
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:183342
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:995241
,
activity:995242
,
activity:995243
,
activity:995244
,
activity:1164903
,
activity:1164904
,
activity:1164905
,
activity:1499622
,
activity:1499623
,
activity:1499624