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Compound InformationSONAR Target prediction
Name:

CALPLOICIN METHYL ETHER

Unique Identifier:SPE00300391
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18Cl3H15O5
Molecular Weight:402.548 g/mol
X log p:3.481  (online calculus)
Lipinksi Failures0
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1c(C)c2OC(=O)c3c(C)c(Cl)c(OC)c(Cl)c3Oc2c(C)c1Cl
Source:ex Caloplaca spp
Reference:Aust J Chem 29: 907 (1976)

Found: 101 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [101]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.8033±0.0320319
Normalized OD Score: sc h 1.0204±0.0173574
Z-Score: 1.1126±0.862107
p-Value: 0.350012
Z-Factor: -11.4648
Fitness Defect: 1.0498
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.0408±0.00066
Plate DMSO Control (-):0.779925±0.14217
Plate Z-Factor:0.4083
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DBLink | Rows returned: 1
4364547

internal high similarity DBLink | Rows returned: 1
SPE01400422 0.9012

nonactive | Cluster 259 | Additional Members: 4 | Rows returned: 3
SPE00200033 0.454545454545455
SPE01400422 0.442622950819672
SPE00241150 0

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