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Compound InformationSONAR Target prediction
Name:

N4-[2-(diethylamino)ethyl]-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-
carboxamide

Unique Identifier:CD 05285
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17Cl2H21N3O2
Molecular Weight:349.106 g/mol
X log p:7.936  (online calculus)
Lipinksi Failures1
TPSA41.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:8
Canonical Smiles:CCN(CC)CCNC(=O)c1c(C)onc1c1c(Cl)cccc1Cl

Found: 50 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50 Next >> [50]
Species: 4932
Condition: YHR087W
Replicates: 2
Raw OD Value: r im 0.7362±0.0217789
Normalized OD Score: sc h 0.9985±0.0117249
Z-Score: -0.0622±0.519773
p-Value: 0.71375
Z-Factor: -7.51225
Fitness Defect: 0.3372
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:4|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:19.60 Celcius
Date:2007-08-01 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00225
Plate DMSO Control (-):0.7055±0.07768
Plate Z-Factor:0.4849
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DBLink | Rows returned: 13<< Back 1 2 3 Next >> 
3462950 [4-[3-(2-chlorophenyl)-5-methyl-oxazole-4-carbonyl]piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-oxazol-4
-yl]methanone
3555310 4-[3-(2-chlorophenyl)-5-methyl-oxazole-4-carbonyl]piperazine-1-carbaldehyde
3678282 [3-(2-chlorophenyl)-5-methyl-oxazol-4-yl]-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)methanone
4050039 [3-(2-chlorophenyl)-5-methyl-oxazol-4-yl]-(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)methanone
4622385 [3-(2,6-dichlorophenyl)-5-methyl-oxazol-4-yl]-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)methanone
4758052 [3-(2,6-dichlorophenyl)-5-methyl-oxazol-4-yl]-(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)methanone

internal high similarity DBLink | Rows returned: 142 3 Next >> 
BTB 03504 0.9006
CD 06800 0.9036
S 06917 0.9045
HTS 11379 0.9045
HTS 08380 0.9045
CD 11571 0.9091

active | Cluster 8647 | Additional Members: 126 | Rows returned: 4
CD 05753 0.477611940298508
SPE01500238 0.457142857142857
RF 00040 0.30188679245283
SPB 00192 0.18

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