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Compound InformationSONAR Target prediction
Name:

ANTHOTHECOL

Unique Identifier:SPE00100005
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:448.295 g/mol
X log p:9.29  (online calculus)
Lipinksi Failures1
TPSA82.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1CC2(C)C(CC3OC32C2(C)C1C1(C)C=CC(=O)C(C)(C)C1=C(O)C2=O)c1cocc1
Class:limonoid
Source:also as 11-ACETOXYCEDRELONE
Reference:J Chem Soc 1963:983; 1970: 205; Nature 207:1101(1965)

Found: 321 active | as graph: single | with analogs [1] << Back 321
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.3472±0.0106066
Normalized OD Score: sc h 0.5759±0.00320884
Z-Score: -5.2857±0.767654
p-Value: 0.00000105636
Z-Factor: 0.577586
Fitness Defect: 13.7607
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00029
Plate DMSO Control (-):0.5169999999999999±0.02260
Plate Z-Factor:0.8531
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DBLink | Rows returned: 2
99980
6708503

internal high similarity DBLink | Rows returned: 1
SPE00100009 0.9595

active | Cluster 9059 | Additional Members: 3 | Rows returned: 2
SPE00100009 0.390804597701149
LAT001A02 0

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