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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 61 62 63 64 65 66 67 68 69 70  Next >> [103]
Species: 4932
Condition: NAT1
Replicates: 2
Raw OD Value: r im 0.6939±0.0059397
Normalized OD Score: sc h 0.9928±0.00218828
Z-Score: -0.4193±0.115574
p-Value: 0.67603
Z-Factor: -15.6973
Fitness Defect: 0.3915
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00097
Plate DMSO Control (-):0.688925±0.01397
Plate Z-Factor:0.9329
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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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