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Compound InformationSONAR Target prediction
Name:

LEOIDIN

Unique Identifier:SPE00200033
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:399.094 g/mol
X log p:2.513  (online calculus)
Lipinksi Failures0
TPSA61.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:2
Canonical Smiles:COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c(C)c1O
Class:depsidone
Source:lichen metabolite
Reference:J Chem Soc 1986: 1491

Found: 425 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [425]
Species: 4932
Condition: SPE00100005
Replicates: 2
Raw OD Value: r im 0.1553±0.137886
Normalized OD Score: sc h 2.4840±2.34795
Z-Score: 9.7354±15.805
p-Value: 0.0748822
Z-Factor: -13.7528
Fitness Defect: 2.5918
Bioactivity Statement: Outlier
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.040025000000000005±0.00130
Plate DMSO Control (-):0.075475±0.25700
Plate Z-Factor:-2.2749
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DBLink | Rows returned: 1
3503223

internal high similarity DBLink | Rows returned: 2
SPE00200035 0.9326
SPE00241150 0.9722

active | Cluster 259 | Additional Members: 4 | Rows returned: 2
SPE01400422 0.442622950819672
SPE00241150 0

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