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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] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [31]
Species: 4932
Condition: NBP2
Replicates: 2
Raw OD Value: r im 0.6072±0.0522552
Normalized OD Score: sc h 0.7985±0.0316309
Z-Score: -4.9699±0.0469977
p-Value: 0.000000679346
Z-Factor: 0.118159
Fitness Defect: 14.2021
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2006-02-17 YYYY-MM-DD
Plate CH Control (+):0.038025±0.00119
Plate DMSO Control (-):0.715525±0.02095
Plate Z-Factor:0.9296
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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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