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Compound InformationSONAR Target prediction
Name:

GANGLEOIDIN ACETATE

Unique Identifier:SPE00300222
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:439.115 g/mol
X log p:4.384  (online calculus)
Lipinksi Failures0
TPSA97.36
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:5
Canonical Smiles:COC(=O)c1c(C)c2Oc3c(Cl)c(OC(C)=O)c(Cl)c(C)c3C(=O)Oc2cc1OC
Class:depsidone
Source:derivative of gangleodin (00200045)

Found: 192 nonactive as graph: single | with analogs [1] << Back 191 192
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5149±0.0275772
Normalized OD Score: sc h 1.0031±0.00261709
Z-Score: 0.2714±0.0112864
p-Value: 0.786076
Z-Factor: -16.4013
Fitness Defect: 0.2407
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00029
Plate DMSO Control (-):0.5169999999999999±0.02260
Plate Z-Factor:0.8531
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DBLink | Rows returned: 1
4673190

internal high similarity DBLink | Rows returned: 1
SPE00200035 0.9235

active | Cluster 8052 | Additional Members: 2 | Rows returned: 1
SPE00200035 0.294117647058823

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