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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: 124 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [124]
Species: 4932
Condition: SPE01500820
Replicates: 2
Raw OD Value: r im 0.0478±0
Normalized OD Score: sc h 0.0737±0
Z-Score: -8.4116±0
p-Value: 4.04468e-17
Z-Factor: 0.922207
Fitness Defect: 37.7465
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00082
Plate DMSO Control (-):0.69025±0.01658
Plate Z-Factor:0.9196
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DBLink | Rows returned: 3
5358812
6445413
6510954

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5447 | Additional Members: 4 | Rows returned: 3
LOPAC 00294 0.301587301587302
Prest739 0
LOPAC 00521 0

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