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Compound InformationSONAR Target prediction
Name:

Centrophenoxine Hydrochloride

Unique Identifier:LAT003A09
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12Cl2H17NO3
Molecular Weight:277.039 g/mol
X log p:9.578  (online calculus)
Lipinksi Failures1
TPSA38.77
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:7
Canonical Smiles:Cl.CN(C)CCOC(=O)COc1ccc(Cl)cc1

Found: 5 nonactive as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6221±0.0103238
Normalized OD Score: sc h 0.9901±0.00216815
Z-Score: -0.1367±0.0467347
p-Value: 0.891306
Z-Factor: -8.56737
Fitness Defect: 0.1151
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:3|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00190
Plate DMSO Control (-):0.63455±0.01440
Plate Z-Factor:0.9167
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DBLink | Rows returned: 4
4039 2-dimethylaminoethyl 2-(4-chlorophenoxy)acetate
19379 2-dimethylaminoethyl 2-(4-chlorophenoxy)acetate hydrochloride
1549015 2-[2-(4-chlorophenoxy)acetyl]oxyethyl-dimethyl-azanium
6428563 2-methylaminoethyl 2-(4-chlorophenoxy)acetate

internal high similarity DBLink | Rows returned: 3
LOPAC 00804 1.0000
Prest978 1.0000
SPE01503226 1.0000

nonactive | Cluster 5554 | Additional Members: 6 | Rows returned: 4
SPE01503226 0
LOPAC 00804 0
LAT002F07 0
Prest978 0

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