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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: 103 nonactive | as graph: single | with analogs [1] << Back 101 102 103 Next >> [103]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.7068±0.0106066
Normalized OD Score: sc h 0.9830±0.00795491
Z-Score: -0.4836±0.231176
p-Value: 0.633212
Z-Factor: -4.09142
Fitness Defect: 0.4569
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.041749999999999995±0.00056
Plate DMSO Control (-):0.6995749999999998±0.01500
Plate Z-Factor:0.9404
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 10977 | Additional Members: 9 | Rows returned: 3
LOPAC 00613 0
LOPAC 01063 0
SPE01500403 0

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