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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 101 102 103 104 105 106 107 108 109 110  Next >> [124]
Species: 4932
Condition: PRE9
Replicates: 2
Raw OD Value: r im 0.4836±0.0160513
Normalized OD Score: sc h 0.7532±0.0031196
Z-Score: -9.3815±0.000397294
p-Value: 6.50282e-21
Z-Factor: -1.69724
Fitness Defect: 46.4821
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2007-10-04 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00054
Plate DMSO Control (-):0.6388±0.11583
Plate Z-Factor:0.3881
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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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