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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 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.6643±0.0438406
Normalized OD Score: sc h 0.9537±0.00166676
Z-Score: -1.7980±0.413339
p-Value: 0.084365
Z-Factor: -18.056
Fitness Defect: 2.4726
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:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.04475±0.00173
Plate DMSO Control (-):0.6949000000000001±0.05718
Plate Z-Factor:0.8314
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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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