Home | Screening data | Screen comparisons | Search for compounds | Structure search

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: SPE01502202
Replicates: 2
Raw OD Value: r im 0.8471±0.0059397
Normalized OD Score: sc h 1.0285±0.0177467
Z-Score: 1.4109±0.925814
p-Value: 0.244194
Z-Factor: -4.6565
Fitness Defect: 1.4098
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:4|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.40 Celcius
Date:2006-07-13 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00081
Plate DMSO Control (-):0.81775±0.04843
Plate Z-Factor:0.8555
png
ps
pdf

DBLink | Rows returned: 132 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: 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

Service provided by the Mike Tyers Laboratory