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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 21 22 23 24 25 26 27 28 29 30  Next >> [388]
Species: 4932
Condition: SPE00100009
Replicates: 2
Raw OD Value: r im 0.0427±0.000919239
Normalized OD Score: sc h 0.9304±0.0758756
Z-Score: -0.8125±0.84754
p-Value: 0.494588
Z-Factor: -2.83798
Fitness Defect: 0.704
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.30 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00102
Plate DMSO Control (-):0.04975±0.25142
Plate Z-Factor:-2.6990
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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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