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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 1 2 Next >> 
Species: 4932
Condition: MT2481-pdr1pdr3
Replicates: 2
Raw OD Value: r im 0.5809±0.035921
Normalized OD Score: sc h 0.8417±0.0466805
Z-Score: -5.0083±1.36546
p-Value: 0.0000264112
Z-Factor: -0.269027
Fitness Defect: 10.5417
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-05-02 YYYY-MM-DD
Plate CH Control (+):0.0377±0.00156
Plate DMSO Control (-):0.6723±0.01248
Plate Z-Factor:0.9314
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DBLink | Rows returned: 512[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [86]
113424 (5-cyclohexyl-5-methyl-hexan-3-yl) acetate
114533 1-cyclohexylethyl acetate
115844 n/a
117304 (1-methyl-4-propan-2-yl-cyclohexyl) acetate
117736 10-acetyloxydecyl acetate
118156 (4-cyclohexyl-3-methyl-butan-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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