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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: 307 nonactive | as graph: single | with analogs [1] << Back 231 232 233 234 235 236 237 238 239 240  Next >> [307]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.8977±0.00438406
Normalized OD Score: sc h 0.9095±0.00591764
Z-Score: -1.4664±0.193185
p-Value: 0.146266
Z-Factor: -0.120702
Fitness Defect: 1.9223
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:14|A3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.0015750000000000002±0.00268
Plate DMSO Control (-):1.001125±0.02752
Plate Z-Factor:0.8983
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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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