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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 11 12 13 14 15 16 17 18 19 20  Next >> [103]
Species: 4932
Condition: ARD1
Replicates: 2
Raw OD Value: r im 0.4125±0.0192333
Normalized OD Score: sc h 0.9506±0.0200258
Z-Score: -1.2666±0.558405
p-Value: 0.239966
Z-Factor: -3.03243
Fitness Defect: 1.4273
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-07-10 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00063
Plate DMSO Control (-):0.40235±0.01977
Plate Z-Factor:0.8302
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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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