Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 21 22 23 24 25 26 27 28 29 30  Next >> [100]
Species: 4932
Condition: DIA2
Replicates: 2
Raw OD Value: r im 0.0507±0.00233345
Normalized OD Score: sc h 0.0814±0.00508762
Z-Score: -41.8680±1.71032
p-Value: 0
Z-Factor: 0.873926
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:26.00 Celcius
Date:2008-06-18 YYYY-MM-DD
Plate CH Control (+):0.040525±0.00136
Plate DMSO Control (-):0.59365±0.01971
Plate Z-Factor:0.8701
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory