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Compound InformationSONAR Target prediction
Name:

ETHAVERINE HYDROCHLORIDE

Unique Identifier:SPE01501000
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:401.714 g/mol
X log p:15.917  (online calculus)
Lipinksi Failures1
TPSA49.28
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:10
Canonical Smiles:Cl.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC
Source:synthetic
Therapeutics:antispasmodic

Found: 40 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [40]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.0523±0
Normalized OD Score: sc h 0.1459±0
Z-Score: -13.8377±0
p-Value: 1.5134e-43
Z-Factor: 0.790766
Fitness Defect: 98.5968
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00091
Plate DMSO Control (-):0.3584±0.02117
Plate Z-Factor:0.7899
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DBLink | Rows returned: 2
3280 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline
5702159 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline hydrochloride

internal high similarity DBLink | Rows returned: 3
LOPAC 00582 0.9057
SB 01383 0.9057
SPE01500459 0.9057

nonactive | Cluster 1145 | Additional Members: 7 | Rows returned: 4
Prest1049 0.4
SPE01500459 0
LOPAC 00582 0
Prest376 0

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