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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] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.6312±0.0218496
Normalized OD Score: sc h 0.9894±0.0023205
Z-Score: -0.4563±0.115435
p-Value: 0.649272
Z-Factor: -5.25073
Fitness Defect: 0.4319
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-11-22 YYYY-MM-DD
Plate CH Control (+):0.0381±0.00153
Plate DMSO Control (-):0.619175±0.01104
Plate Z-Factor:0.9162
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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: 91 2 Next >> 
LOPAC 00289 0.368421052631579
Prest525 0.368421052631579
LOPAC 01021 0.368421052631579
LAT004G02 0.368421052631579
Prest308 0.343283582089552
SPE01500277 0.166666666666667

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