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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 211 212 213 214 215 216 217 218 219 220  Next >> [307]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.7546±0.00608112
Normalized OD Score: sc h 0.9361±0.0101963
Z-Score: -2.3749±0.463933
p-Value: 0.0237714
Z-Factor: -1.25029
Fitness Defect: 3.7393
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.037975±0.00224
Plate DMSO Control (-):0.7883500000000001±0.02244
Plate Z-Factor:0.9325
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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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