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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 11 12 13 14 15 16 17 18 19 20  Next >> [50]
Species: 4932
Condition: CLA4
Replicates: 2
Raw OD Value: r im 0.7086±0.000353553
Normalized OD Score: sc h 1.0482±0.0205974
Z-Score: 1.2365±0.668358
p-Value: 0.266188
Z-Factor: -6.39015
Fitness Defect: 1.3236
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:4|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2007-04-26 YYYY-MM-DD
Plate CH Control (+):0.042925000000000005±0.00351
Plate DMSO Control (-):0.716125±0.07510
Plate Z-Factor:0.7097
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DBLink | Rows returned: 131 2 3 Next >> 
700823 [3-(2-chlorophenyl)-5-methyl-oxazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
798832 [3-(2-chlorophenyl)-5-methyl-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
1005092 [3-(2,6-dichlorophenyl)-5-methyl-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
1164257 [3-(2,6-dichlorophenyl)-5-methyl-oxazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
2731926 [4-[3-(2,6-dichlorophenyl)-5-methyl-oxazole-4-carbonyl]piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-
oxazol-4-yl]methanone
2804261 3-(2,6-dichlorophenyl)-N-(2-diethylaminoethyl)-5-methyl-oxazole-4-carboxamide

internal high similarity DBLink | Rows returned: 141 2 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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