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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 21 22 23 24 25 26 27 28 29 30  Next >> [86]
251147 8-hydroxyoctyl acetate
251170 14-hydroxytetradecyl acetate
251173 18-hydroxyoctadecyl acetate
272944 (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl)
acetate
281929 n/a
281972 (3-methylnorbornan-2-yl)methyl 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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