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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 461 462 463 464 465 466 467 468 469 470  Next >> [603]
Species: 4932
Condition: POL32
Replicates: 2
Raw OD Value: r im 0.6813±0.0465983
Normalized OD Score: sc h 1.0735±0.00306062
Z-Score: 2.0494±0.0859141
p-Value: 0.0407976
Z-Factor: 0.257252
Fitness Defect: 3.1991
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2006-02-16 YYYY-MM-DD
Plate CH Control (+):0.039275000000000004±0.00438
Plate DMSO Control (-):0.626475±0.00984
Plate Z-Factor:0.9488
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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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