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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: 70 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [70]
Species: 4932
Condition: GPR1
Replicates: 2
Raw OD Value: r im 0.6681±0.00120208
Normalized OD Score: sc h 0.8597±0.000721034
Z-Score: -3.9757±0.266263
p-Value: 0.0000917294
Z-Factor: 0.0449716
Fitness Defect: 9.2967
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-03-02 YYYY-MM-DD
Plate CH Control (+):0.039325±0.00184
Plate DMSO Control (-):0.7518750000000001±0.03408
Plate Z-Factor:0.7954
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DBLink | Rows returned: 1
6710615

internal high similarity DBLink | Rows returned: 1
SPE00300391 0.9012

active | Cluster 259 | Additional Members: 4 | Rows returned: 2
SPE00200033 0.454545454545455
SPE00241150 0

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