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Compound InformationSONAR Target prediction
Name:

Mesoridazine besylate

Unique Identifier:Prest853
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H32N2O4S3
Molecular Weight:512.498 g/mol
X log p:14.098  (online calculus)
Lipinksi Failures1
TPSA68.06
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O.OS(=O)(=O)c1ccccc1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 16682.0000±0
Normalized OD Score: sc h 0.9252±0
Z-Score: -2.0812±0
p-Value: 0.0374116
Z-Factor: -6.46708
Fitness Defect: 3.2858
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|E10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18050±2247.77104
Plate DMSO Control (-):18225±2038.51752
Plate Z-Factor:-32.1903
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DBLink | Rows returned: 2
36207 benzenesulfonic acid; 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfinyl-phenothiazine
6604546 benzenesulfonic acid; 10-[2-[(2R)-1-methyl-2-piperidyl]ethyl]-2-methylsulfinyl-phenothiazine

internal high similarity DBLink | Rows returned: 0

active | Cluster 6041 | Additional Members: 22 | Rows returned: 161 2 3 Next >> 
LAT002B04 0.5375
SPE01500575 0.5375
Prest437 0.5375
LOPAC 00320 0.5375
Prest1278 0.5
SPE01503936 0.452054794520548

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