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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: SMI1
Replicates: 2
Raw OD Value: r im 0.7694±0.0191626
Normalized OD Score: sc h 0.9961±0.00936501
Z-Score: -0.2355±0.589777
p-Value: 0.685002
Z-Factor: -384.792
Fitness Defect: 0.3783
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:4|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2006-05-27 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00111
Plate DMSO Control (-):0.76105±0.01468
Plate Z-Factor:0.9291
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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: 14<< Back 1 2 3
SPB 00072 0.9557
S 06916 1.0000

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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