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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 111 112 113 114
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9936±0.00176777
Normalized OD Score: sc h 0.9540±0.0085438
Z-Score: -0.0724±0.206773
p-Value: 0.884056
Z-Factor: -2.04996
Fitness Defect: 0.1232
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:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.000525±0.00300
Plate DMSO Control (-):1.008725±0.02968
Plate Z-Factor:0.8945
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DBLink | Rows returned: 78<< Back 11 12 13 Next >> 
6422116 n/a
6425057 n/a
6428337 (8R,8aS)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
6428365 (3S,8R,8aS)-3,8,8a-trimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
6432867 (4E)-cyclodec-4-en-1-one
6437002 2-[(E)-pent-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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