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Compound InformationSONAR Target prediction
Name:

RHODINYL ACETATE

Unique Identifier:SPE00310030
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:176.127 g/mol
X log p:2.39  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:7
Canonical Smiles:CC(CCOC(C)=O)CCC=C(C)C
Class:terpene
Source:common constituent of plant essential oils

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.9730±0
Normalized OD Score: sc h 1.0000±0
Z-Score: 1.2198±0
p-Value: 0.222526
Z-Factor: -8.57143
Fitness Defect: 1.5027
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:17|G4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.1085±0.00922
Plate DMSO Control (-):0.9815±0.02592
Plate Z-Factor:0.8793
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DBLink | Rows returned: 3
9017 3,7-dimethyloct-6-enyl acetate
6708682 [(3R)-3,7-dimethyloct-6-enyl] acetate
6999975 [(3S)-3,7-dimethyloct-6-enyl] acetate

internal high similarity DBLink | Rows returned: 2
SPE00100583 0.9057
SPE00100552 0.9231

nonactive | Cluster 1751 | Additional Members: 1 | Rows returned: 0

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