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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 81 82 83 84 85 86 87 88 89 90  Next >> [100]
Species: 4932
Condition: SWR1
Replicates: 2
Raw OD Value: r im 0.0461±0.0019799
Normalized OD Score: sc h 0.0691±0.00255304
Z-Score: -38.1574±0.166255
p-Value: 0
Z-Factor: 0.841003
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-01-31 YYYY-MM-DD
Plate CH Control (+):0.04195±0.00089
Plate DMSO Control (-):0.62425±0.02901
Plate Z-Factor:0.8405
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3471 | Additional Members: 6 | Rows returned: 3
SPE01500196 0.474576271186441
LOPAC 00466 0
SPE01500557 0

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