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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 111 112 113 114 115 116 117 118 119 120  Next >> [205]
Species: 4932
Condition: DNM1
Replicates: 2
Raw OD Value: r im 0.6937±0.0128693
Normalized OD Score: sc h 1.0286±0.00325498
Z-Score: 1.1891±0.0598048
p-Value: 0.234806
Z-Factor: -1.41826
Fitness Defect: 1.449
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-03-07 YYYY-MM-DD
Plate CH Control (+):0.040425±0.00037
Plate DMSO Control (-):0.679975±0.01759
Plate Z-Factor:0.8803
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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

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