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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: 203 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [203]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7068±0.00226274
Normalized OD Score: sc h 1.0125±0.000488649
Z-Score: 0.6778±0.0163275
p-Value: 0.497946
Z-Factor: -3.91762
Fitness Defect: 0.6973
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00061
Plate DMSO Control (-):0.68065±0.01793
Plate Z-Factor:0.9085
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DBLink | Rows returned: 512[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [86]
173533 (3-methyl-2-pentyl-cyclopentyl) acetate
176972 octacosyl acetate
198618 (1-pentylcyclohexyl) acetate
220674 [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] acetate
221696 (4-cyclohexylcyclohexyl) acetate
221740 (4-butan-2-ylcyclohexyl) 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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