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Compound InformationSONAR Target prediction
Name:

NORDIPLOICIN DIACETATE

Unique Identifier:SPE01400422
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19Cl4H12O7
Molecular Weight:482.01 g/mol
X log p:3.286  (online calculus)
Lipinksi Failures0
TPSA88.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:4
Canonical Smiles:CC(=O)Oc1c(Cl)c(C)c2Oc3c(Cl)c(OC(C)=O)c(Cl)c(C)c3C(=O)Oc2c1Cl
Source:ex lichen metabolite

Found: 31 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [31]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.5535±0.026163
Normalized OD Score: sc h 0.8251±0.0180328
Z-Score: -8.4766±0.901497
p-Value: 0.00000000000000226778
Z-Factor: -0.440877
Fitness Defect: 33.72
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.04212500000000001±0.00092
Plate DMSO Control (-):0.6622±0.03866
Plate Z-Factor:0.7899
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DBLink | Rows returned: 1
6710615

internal high similarity DBLink | Rows returned: 1
SPE00300391 0.9012

nonactive | Cluster 259 | Additional Members: 4 | Rows returned: 3
SPE00200033 0.454545454545455
SPE00300391 0.264150943396226
SPE00241150 0

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