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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 541 542 543 544 545 546 547 548 549 550  Next >> [603]
Species: 4932
Condition: NDI1
Replicates: 2
Raw OD Value: r im 0.6643±0.00643467
Normalized OD Score: sc h 0.9851±0.00465847
Z-Score: -0.6918±0.216054
p-Value: 0.4941
Z-Factor: -11.1168
Fitness Defect: 0.705
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.0395±0.00049
Plate DMSO Control (-):0.6676±0.02295
Plate Z-Factor:0.8650
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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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