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Compound InformationSONAR Target prediction
Name:

PODOPHYLLOTOXIN ACETATE

Unique Identifier:SPE01504412
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:432.251 g/mol
X log p:10.58  (online calculus)
Lipinksi Failures1
TPSA98.75
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:6
Canonical Smiles:COc1cc(cc(OC)c1OC)C1C2C(COC2=O)C(OC(C)=O)c2cc3OCOc3cc12
Class:lignan
Source:derivative

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6817±0.00240416
Normalized OD Score: sc h 0.9740±0.000311705
Z-Score: -1.4113±0.00434456
p-Value: 0.158165
Z-Factor: -3.41848
Fitness Defect: 1.8441
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00052
Plate DMSO Control (-):0.687425±0.02326
Plate Z-Factor:0.8902
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DBLink | Rows returned: 6
164791
185985
225919
225920
233299
510879

internal high similarity DBLink | Rows returned: 1
SPE01504411 1.0000

active | Cluster 2906 | Additional Members: 14 | Rows returned: 0
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