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Compound InformationSONAR Target prediction
Name:

Pimethixene maleate

Unique Identifier:Prest656
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H23NO4S
Molecular Weight:386.316 g/mol
X log p:17.187  (online calculus)
Lipinksi Failures1
TPSA28.54
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CN1CCC(CC1)=C1c2ccccc2Sc2ccccc21.OC(=O)C=CC(O)=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1985.0000±0
Normalized OD Score: sc h 0.9902±0
Z-Score: -0.2210±0
p-Value: 0.825074
Z-Factor: -6.86951
Fitness Defect: 0.1923
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:4|F5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.70 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1024±959.34887
Plate DMSO Control (-):2047±547.49039
Plate Z-Factor:-4.6829
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DBLink | Rows returned: 1
5702167 but-2-enedioic acid; 1-methyl-4-thioxanthen-9-ylidene-piperidine

internal high similarity DBLink | Rows returned: 0

active | Cluster 4311 | Additional Members: 10 | Rows returned: 2
SPE01501114 0.571428571428571
SPE01505003 0.46875

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