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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: 6 nonactive | as graph: single | with analogs 1 2 3 4 5 6 Next >> 
Species: 4932
Condition: BY4741-2nd
Replicates: 2
Raw OD Value: r im 0.9520±0
Normalized OD Score: sc h 0.9755±0
Z-Score: 0.3542±0
p-Value: 0.723226
Z-Factor: -7.24868
Fitness Defect: 0.324
Bioactivity Statement: Nonactive
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:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.1095±0.00913
Plate DMSO Control (-):0.953±0.03881
Plate Z-Factor:0.8295
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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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