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Compound InformationSONAR Target prediction
Name:

Methysergide maleate

Unique Identifier:LOPAC 00550
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H31N3O6
Molecular Weight:441.308 g/mol
X log p:9.677  (online calculus)
Lipinksi Failures1
TPSA23.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:CCC(CO)NC(=O)C1CN(C)C2Cc3cn(C)c4cccc(C2=C1)c34.OC(=O)C=CC(O)=O
Class:Serotonin
Action:Antagonist

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7979±0.0788637
Normalized OD Score: sc h 1.0034±0.0305415
Z-Score: 0.0997±1.07984
p-Value: 0.323802
Z-Factor: -7.11702
Fitness Defect: 1.1276
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04756875±0.00100
Plate DMSO Control (-):0.7615562500000002±0.04256
Plate Z-Factor:0.8396
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DBLink | Rows returned: 3
108224
5281073
6915830

internal high similarity DBLink | Rows returned: 2
LOPAC 01038 0.9069
SPE01500404 0.9146

nonactive | Cluster 4543 | Additional Members: 12 | Rows returned: 9<< Back 1 2
LOPAC 01038 0
SPE01500404 0
Prest727 0

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