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Compound InformationSONAR Target prediction
Name:

CEDRYL ACETATE

Unique Identifier:SPE00310015
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:237.189 g/mol
X log p:0.538  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:2
Canonical Smiles:CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O
Class:sesquiterpene
Source:semisynthetic

Found: 2 active | as graph: single | with analogs << Back 1 2
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.4839±0.000636396
Normalized OD Score: sc h 0.8458±0.00126701
Z-Score: -4.8582±0.173262
p-Value: 0.00000140855
Z-Factor: -0.392259
Fitness Defect: 13.4729
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00042
Plate DMSO Control (-):0.5687500000000001±0.03760
Plate Z-Factor:0.7716
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DBLink | Rows returned: 512[1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [86]
6427576 [(2R,6R)-6-hydroxydecalin-2-yl] acetate
6427577 [(2R,6S)-6-hydroxydecalin-2-yl] acetate
6427578 [(2R)-decalin-2-yl] acetate
6427589 [(2S,6R)-6-hydroxydecalin-2-yl] acetate
6427591 [(2S,6S)-6-methyldecalin-2-yl] acetate
6427593 [(2S)-decalin-2-yl] acetate

internal high similarity DBLink | Rows returned: 6
JFD 03696 0.9412
NRB 01908 0.9412
NRB 03747 0.9412
SPE00300052 0.9412
SPE00300133 0.9697
NRB 03694 1.0000

active | Cluster 4444 | Additional Members: 3 | Rows returned: 1
SPE00307059 0

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