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Compound InformationSONAR Target prediction
Name:

METHIOTHEPIN MALEATE

Unique Identifier:SPE01503637
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H28N2O4S2
Molecular Weight:444.4 g/mol
X log p:15.562  (online calculus)
Lipinksi Failures1
TPSA57.08
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:2
Canonical Smiles:CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1.OC(=O)C=CC(O)=O
Therapeutics:5HT1&2 receptor antagonist

Found: 388 nonactive | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [388]
Species: 4932
Condition: SPE00270029
Replicates: 2
Raw OD Value: r im 0.5624±0.0309006
Normalized OD Score: sc h 1.0382±0.025295
Z-Score: 0.4812±0.401849
p-Value: 0.643894
Z-Factor: -55.9085
Fitness Defect: 0.4402
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2006-12-21 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00994
Plate DMSO Control (-):0.569925±0.03906
Plate Z-Factor:0.7608
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DBLink | Rows returned: 3
5358812
6445413
6510954

internal high similarity DBLink | Rows returned: 0

active | Cluster 5447 | Additional Members: 4 | Rows returned: 2
LOPAC 00294 0.301587301587302
LOPAC 00521 0

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