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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 421 422 423 424 425 426 427 428 429 430  Next >> [603]
Species: 4932
Condition: CLB2
Replicates: 2
Raw OD Value: r im 0.6867±0.00494975
Normalized OD Score: sc h 1.0127±0.00452386
Z-Score: 0.7363±0.277284
p-Value: 0.470072
Z-Factor: -9.57048
Fitness Defect: 0.7549
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-11-02 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00071
Plate DMSO Control (-):0.6633±0.11892
Plate Z-Factor:0.4000
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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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