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Compound InformationSONAR Target prediction
Name:

Thiethylperazine malate

Unique Identifier:Prest244
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H41N3O10S2
Molecular Weight:626.467 g/mol
X log p:16.316  (online calculus)
Lipinksi Failures1
TPSA60.32
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:6
Canonical Smiles:CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1.OC(CC(O)=O)C(O)=O.OC(CC(O)=O)C
(O)=O

Found: 3 active as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 549.0000±0
Normalized OD Score: sc h 0.7195±0
Z-Score: -6.3224±0
p-Value: 0.000000000257524
Z-Factor: -3.95718
Fitness Defect: 22.0799
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:14|C9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):666±537.71391
Plate DMSO Control (-):769.5±270.43450
Plate Z-Factor:-41.4809
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DBLink | Rows returned: 2
3085006 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; 2-hydroxybutanedioic acid
6604556 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; (2R)-2-hydroxybutanedioic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 6041 | Additional Members: 22 | Rows returned: 151 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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