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Compound InformationSONAR Target prediction
Name:

PIMETHIXENE MALEATE

Unique Identifier:SPE01501114
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic; BP-400
Therapeutics:H1 antihistamine

Found: 603 nonactive | as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [603]
Species: 4932
Condition: SPE01500521
Replicates: 2
Raw OD Value: r im 0.0955±0.0514067
Normalized OD Score: sc h 1.0483±0.181685
Z-Score: 0.3075±1.96841
p-Value: 0.183719
Z-Factor: -3.17617
Fitness Defect: 1.6943
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2007-03-22 YYYY-MM-DD
Plate CH Control (+):0.06797500000000001±0.00526
Plate DMSO Control (-):0.09872500000000001±0.32765
Plate Z-Factor:-2.5728
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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: 1
SPE01505003 0.46875

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