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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: 15 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: SPE01500807
Replicates: 2
Raw OD Value: r im 0.7128±0.0160513
Normalized OD Score: sc h 1.0889±0.0106856
Z-Score: 5.9573±0.348307
p-Value: 0.00000000589066
Z-Factor: -0.651157
Fitness Defect: 18.9499
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-01-04 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00227
Plate DMSO Control (-):0.66335±0.02202
Plate Z-Factor:0.9072
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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

nonactive | Cluster 4311 | Additional Members: 10 | Rows returned: 81 2 Next >> 
LOPAC 00494 0.573770491803279
Prest139 0.573770491803279
Prest656 0.571428571428571
Prest1282 0.46875
SPE01505003 0.46875
LOPAC 00997 0

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