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Compound InformationSONAR Target prediction
Name:

Centrophenoxine hydrochloride

Unique Identifier:LOPAC 00804
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
Class:Nootropic

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.8167±0.190141
Normalized OD Score: sc h 1.0315±0.0487342
Z-Score: 0.8327±1.29686
p-Value: 0.50647
Z-Factor: -6.87068
Fitness Defect: 0.6803
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-19 YYYY-MM-DD
Plate CH Control (+):0.047850000000000004±0.00214
Plate DMSO Control (-):0.762475±0.04245
Plate Z-Factor:0.8892
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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: 1
SPE01503226 1.0000

active | Cluster 5554 | Additional Members: 6 | Rows returned: 2
SPE01503226 0
Prest978 0

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