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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] << Back 31 32 33 34 35 36 37 38 39 40 Next >> [40]
Species: 4932
Condition: SPE01502247
Replicates: 2
Raw OD Value: r im 0.5064±0.0197283
Normalized OD Score: sc h 0.6500±0.0148832
Z-Score: -8.4529±0.530359
p-Value: 3.30174e-16
Z-Factor: -0.128528
Fitness Defect: 35.6469
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00273
Plate DMSO Control (-):0.8453250000000001±0.13311
Plate Z-Factor:0.5261
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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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