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Compound InformationSONAR Target prediction
Name:

GANGALEOIDIN

Unique Identifier:SPE00200035
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:399.094 g/mol
X log p:4.46  (online calculus)
Lipinksi Failures0
TPSA71.06
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:3
Canonical Smiles:COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2cc1OC
Class:depsidone
Source:Lecanora gangaleoides
Reference:J Chem Soc 1986: 1491

Found: 192 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [192]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7294±0.00459619
Normalized OD Score: sc h 0.9910±0.00664486
Z-Score: -0.4759±0.342151
p-Value: 0.643942
Z-Factor: -20.5489
Fitness Defect: 0.4401
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00110
Plate DMSO Control (-):0.7124250000000001±0.01605
Plate Z-Factor:0.9098
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DBLink | Rows returned: 1
4565183

internal high similarity DBLink | Rows returned: 3
SPE00300222 0.9235
SPE00200033 0.9326
SPE00241150 0.9389

active | Cluster 8052 | Additional Members: 2 | Rows returned: 0
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