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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 91 92 93 94 95 96 97 98 99 100  Next >> [124]
Species: 4932
Condition: LGE1
Replicates: 2
Raw OD Value: r im 0.3447±0.066963
Normalized OD Score: sc h 0.5956±0.0800194
Z-Score: -6.7881±0.735972
p-Value: 0.00000000018332
Z-Factor: -0.0566525
Fitness Defect: 22.4198
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2006-02-08 YYYY-MM-DD
Plate CH Control (+):0.039150000000000004±0.00167
Plate DMSO Control (-):0.5574±0.03427
Plate Z-Factor:0.7936
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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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