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Compound InformationSONAR Target prediction
Name:

CITALOPRAM

Unique Identifier:SPE01504172
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20FH21N2O
Molecular Weight:303.225 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)CCCC1(OCc2cc(ccc21)C#N)c1ccc(F)cc1
Source:synthetic
Therapeutics:antidepressant, 5HT reuptake inhibitor

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5535±0.00381838
Normalized OD Score: sc h 1.0464±0.00910392
Z-Score: 1.2894±0.254102
p-Value: 0.204466
Z-Factor: -1.66131
Fitness Defect: 1.5874
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00021
Plate DMSO Control (-):0.5157±0.02128
Plate Z-Factor:0.8318
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2926 | Additional Members: 4 | Rows returned: 0
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