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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 171 172 173 174 175 176 177 178 179 180  Next >> [192]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6941±0.0225567
Normalized OD Score: sc h 0.9985±0.00524762
Z-Score: 0.6619±0.211031
p-Value: 0.512752
Z-Factor: -1.99044
Fitness Defect: 0.668
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00264
Plate DMSO Control (-):0.6988000000000001±0.01639
Plate Z-Factor:0.8978
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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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