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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] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [192]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.5516±0.0365574
Normalized OD Score: sc h 0.8520±0.0221212
Z-Score: -3.1005±0.201474
p-Value: 0.00213954
Z-Factor: -1.40699
Fitness Defect: 6.1472
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.039224999999999996±0.00098
Plate DMSO Control (-):0.621225±0.04505
Plate Z-Factor:0.8348
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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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