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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 311 312 313 314 315 316 317 318 319 320  Next >> [321]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.5894±0.0494975
Normalized OD Score: sc h 0.8634±0.0282227
Z-Score: -5.8555±1.17819
p-Value: 0.000000255216
Z-Factor: -0.11707
Fitness Defect: 15.1812
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00061
Plate DMSO Control (-):0.678125±0.01520
Plate Z-Factor:0.9099
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DBLink | Rows returned: 2
99980
6708503

internal high similarity DBLink | Rows returned: 1
SPE00100009 0.9595

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

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