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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 71 72 73 74 75 76 77 78 79 80  Next >> [603]
Species: 4932
Condition: SPE00100101
Replicates: 2
Raw OD Value: r im 0.4669±0.0264458
Normalized OD Score: sc h 0.9703±0.0226617
Z-Score: -0.6254±0.465873
p-Value: 0.553482
Z-Factor: -3.24989
Fitness Defect: 0.5915
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:21.50 Celcius
Date:2006-12-14 YYYY-MM-DD
Plate CH Control (+):0.038675±0.00169
Plate DMSO Control (-):0.50495±0.02621
Plate Z-Factor:0.7785
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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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