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Sources
1005722
Source:
http://linkedlifedata.com/resource/chembl/compound/1005722
Search
Subject
(
49
)
Predicate
Object
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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/C23H22ClN3O3/c24-18-5-3-17(4-6-18)16-22(28)25-19-7-9-20(10-8-19)26-11-13-27(14-12-26)23(29)21-2-1-15-30-21/h1-10,15H,11-14,16H2,(H,25,28)
chemicalCompound:standardIn...
NYEVYEFQFWJZHT-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Clc1ccc(CC(=O)Nc2ccc(cc2)N3CCN(CC3)C(=O)c4occc4)cc1
chemicalCompound:molecularF...
C23H22ClN3O3
chemicalCompound:moleculeId
1005722
chemicalCompound:mwFreebase
423.892
chemicalCompound:alogp
3.752
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
65.79
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.474
chemicalCompound:acdLogD
3.474
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
423.892
chemicalCompound:acdMostBpk...
4.476
chemicalCompound:chemblId
CHEMBL1581838
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1105722
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:4049693
,
activity:4232188
,
activity:4429221
,
activity:4533422
,
activity:4624265
,
activity:5035159
,
activity:5686402
,
activity:5869607
,
activity:6726303
,
activity:6992516
,
activity:7169276
,
activity:7251110
,
activity:7491056
,
activity:8278473
,
activity:10306604
,
activity:10608081