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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: 576 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [576]
Species: 4932
Condition: SPE01500767
Replicates: 2
Raw OD Value: r im 0.4814±0.00820244
Normalized OD Score: sc h 0.9271±0.0125169
Z-Score: -1.5285±0.2212
p-Value: 0.131027
Z-Factor: -2.0626
Fitness Defect: 2.0324
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.50 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00247
Plate DMSO Control (-):0.52305±0.03516
Plate Z-Factor:0.7697
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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

active | Cluster 1145 | Additional Members: 7 | Rows returned: 1
Prest1049 0.4

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