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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 431 432 433 434 435 436 437 438 439 440  Next >> [576]
Species: 4932
Condition: RGP1
Replicates: 2
Raw OD Value: r im 0.3875±0.00763675
Normalized OD Score: sc h 0.8895±0.0203027
Z-Score: -2.8901±0.56651
p-Value: 0.00689516
Z-Factor: -0.435729
Fitness Defect: 4.9769
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.04±0.00048
Plate DMSO Control (-):0.4274±0.01390
Plate Z-Factor:0.8823
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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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