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Compound InformationSONAR Target prediction
Name:

TOREMIPHENE CITRATE

Unique Identifier:SPE01505682
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C32ClH36NO8
Molecular Weight:561.797 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CN(C)CCOc1ccc(cc1)C(=C(CCCl)c1ccccc1)c1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)
=O
Source:synthetic; FC-1157a
Therapeutics:antineoplastic, anti-estrogen

Found: 100 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [100]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7065±0.0982878
Normalized OD Score: sc h 0.8370±0.0322258
Z-Score: -4.4593±0.743472
p-Value: 0.0000421596
Z-Factor: 0.00778208
Fitness Defect: 10.074
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:10|F11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09775±0.00694
Plate DMSO Control (-):0.968±0.02160
Plate Z-Factor:0.8713
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3471 | Additional Members: 6 | Rows returned: 5
Prest757 0.474576271186441
SPE01500196 0.474576271186441
LOPAC 00466 0
SPE01500557 0
Prest458 0

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