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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 371 372 373 374 375 376 377 378 379 380  Next >> [388]
Species: 4932
Condition: ROM2
Replicates: 2
Raw OD Value: r im 0.6046±0.0452548
Normalized OD Score: sc h 0.9054±0.076686
Z-Score: -4.1143±3.23843
p-Value: 0.034046
Z-Factor: -11.5499
Fitness Defect: 3.38
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-11-21 YYYY-MM-DD
Plate CH Control (+):0.041025±0.00041
Plate DMSO Control (-):0.644675±0.11629
Plate Z-Factor:0.3965
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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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