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Compound InformationSONAR Target prediction
Name:

CALCEIN

Unique Identifier:SPE01500763
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:596.327 g/mol
X log p:12.98  (online calculus)
Lipinksi Failures3
TPSA118.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:15
Rotatable Bond Count:14
Canonical Smiles:OC(=O)CN(CC(O)=O)Cc1cc2c(Oc3cc(=O)c(CN(CC(O)=O)CC(O)=O)cc3=C2c2ccccc2C
(O)=O)cc1O
Source:synthetic
Therapeutics:chelating agent (Ca, Mg)

Found: 183 nonactive | as graph: single | with analogs [1] << Back 181 182 183 Next >> [183]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.7863±0.022486
Normalized OD Score: sc h 1.0056±0.00620158
Z-Score: 0.3400±0.392859
p-Value: 0.74359
Z-Factor: -22.3883
Fitness Defect: 0.2963
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00113
Plate DMSO Control (-):0.7719±0.14444
Plate Z-Factor:0.3870
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 15409 | Additional Members: 1 | Rows returned: 0

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