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Compound InformationSONAR Target prediction
Name:

Meclofenoxate hydrochloride

Unique Identifier:Prest978
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: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1408.0000±0
Normalized OD Score: sc h 1.1792±0
Z-Score: 4.0394±0
p-Value: 0.0000536002
Z-Factor: -4.2924
Fitness Defect: 9.834
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:10|E4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):870.5±769.75857
Plate DMSO Control (-):982.5±305.13061
Plate Z-Factor:-45.8313
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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: 0

active | Cluster 5554 | Additional Members: 6 | Rows returned: 1
SPE01503226 0

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