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Compound InformationSONAR Target prediction
Name:

METHYLDOPATE HYDROCHLORIDE

Unique Identifier:SPE01505384
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12ClH18NO4
Molecular Weight:257.585 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Cl.CCOC(=O)C(C)(N)Cc1ccc(O)c(O)c1
Class:alkaloid
Source:synthetic
Therapeutics:antihypertensive

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: VAM3
Replicates: 2
Raw OD Value: r im 0.6156±0.0155563
Normalized OD Score: sc h 0.8586±0.00393587
Z-Score: -4.3054±0.318713
p-Value: 0.000025453
Z-Factor: 0.230677
Fitness Defect: 10.5787
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-04-09 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00063
Plate DMSO Control (-):0.6931±0.02155
Plate Z-Factor:0.9029
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 10977 | Additional Members: 9 | Rows returned: 71 2 Next >> 
Prest1254 0.422222222222222
LOPAC 00251 0.390243902439024
SPE01502150 0.390243902439024
LOPAC 00613 0
Prest732 0
LOPAC 01063 0

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