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Compound InformationSONAR Target prediction
Name:

15-NORCARYOPHYLLEN-3-ONE

Unique Identifier:SPE00300166
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H22O
Molecular Weight:184.149 g/mol
X log p:2.29  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2C(CC2(C)C)C(=O)CCC=1
Source:derivative

Found: 114 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [114]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.9560±0
Normalized OD Score: sc h 0.9931±0
Z-Score: 0.6264±0
p-Value: 0.531064
Z-Factor: -6.53399
Fitness Defect: 0.6329
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:21|G11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.1±0.00759
Plate DMSO Control (-):0.953±0.01912
Plate Z-Factor:0.9060
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DBLink | Rows returned: 78<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
5325222 (1S,5R)-bicyclo[3.2.1]oct-6-en-3-one
5364962 (E)-5-butyl-2,2-dimethyl-undec-6-en-3-one
5365623 (4E)-cyclonon-4-en-1-one
5367622 n/a
5367800 3-methyl-2-[(E)-pent-2-enyl]cyclopentan-1-one
5367848 2-[(E)-oct-2-enyl]cyclopentan-1-one

internal high similarity DBLink | Rows returned: 4
SPE01800109 0.9167
NRB 03735 0.9429
NRB 03822 0.9429
JFD 02026 0.9459

active | Cluster 8140 | Additional Members: 2 | Rows returned: 1
SPE01500842 0

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