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Compound InformationSONAR Target prediction
Name:

Acetopromazine maleate salt

Unique Identifier:Prest888
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H26N2O5S
Molecular Weight:416.323 g/mol
X log p:15.516  (online calculus)
Lipinksi Failures1
TPSA48.85
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O.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 2010.0000±0
Normalized OD Score: sc h 1.0102±0
Z-Score: 0.2292±0
p-Value: 0.81874
Z-Factor: -6.95977
Fitness Defect: 0.2
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:8|B7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):953±868.44324
Plate DMSO Control (-):1906.5±525.50956
Plate Z-Factor:-4.3660
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DBLink | Rows returned: 2
5476753 but-2-enedioic acid; 1-[10-(3-dimethylaminopropyl)phenothiazin-2-yl]ethanone
6420038 but-2-enedioic acid; 1-[10-(3-dimethylaminopropyl)phenothiazin-2-yl]ethanone

internal high similarity DBLink | Rows returned: 0

active | Cluster 17541 | Additional Members: 13 | Rows returned: 4
SPE01503934 0.32258064516129
SPE01500184 0
LAT005D03 0
LOPAC 00253 0

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