Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 121 122 123 124 125 126 127 128 129 130  Next >> [192]
Species: 4932
Condition: FET3
Replicates: 2
Raw OD Value: r im 0.6870±0.00806102
Normalized OD Score: sc h 0.9878±0.00394168
Z-Score: -0.5125±0.140436
p-Value: 0.610036
Z-Factor: -8.32399
Fitness Defect: 0.4942
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-01-10 YYYY-MM-DD
Plate CH Control (+):0.04095±0.00058
Plate DMSO Control (-):0.67515±0.01741
Plate Z-Factor:0.9109
png
ps
pdf

DBLink | Rows returned: 1
4673190

internal high similarity DBLink | Rows returned: 1
SPE00200035 0.9235

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

Service provided by the Mike Tyers Laboratory