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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 1 2 3 4 5 6 7 8 9 10  Next >> [103]
Species: 4932
Condition: MKK1
Replicates: 2
Raw OD Value: r im 0.8880±0.0127279
Normalized OD Score: sc h 1.0583±0.00920533
Z-Score: 1.6590±0.170487
p-Value: 0.0995518
Z-Factor: -0.820336
Fitness Defect: 2.3071
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:9|H11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10250000000000001±0.01138
Plate DMSO Control (-):0.9512499999999999±0.02396
Plate Z-Factor:0.8824
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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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