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Compound InformationSONAR Target prediction
Name:

Methylergonovine maleate

Unique Identifier:LOPAC 01038
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H29N3O6
Molecular Weight:429.297 g/mol
X log p:8.796  (online calculus)
Lipinksi Failures1
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:CCC(CO)NC(=O)C1CN(C)C2Cc3cnc4cccc(C2=C1)c34.OC(=O)C=CC(O)=O
Class:Dopamine
Action:Antagonist

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.6437±0.00452548
Normalized OD Score: sc h 0.9990±0.00366663
Z-Score: -0.0453±0.133332
p-Value: 0.924964
Z-Factor: -8.78839
Fitness Defect: 0.078
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.048100000000000004±0.00091
Plate DMSO Control (-):0.656025±0.04276
Plate Z-Factor:0.7922
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 3
LOPAC 00550 0.9069
SPE01500277 0.9835
SPE01500404 1.0000

nonactive | Cluster 4543 | Additional Members: 12 | Rows returned: 91 2 Next >> 
LOPAC 00550 0.38961038961039
LOPAC 00289 0.368421052631579
Prest525 0.368421052631579
LOPAC 01021 0.368421052631579
LAT004G02 0.368421052631579
Prest308 0.343283582089552

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