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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: BCK1
Replicates: 2
Raw OD Value: r im 0.9440±0.0140007
Normalized OD Score: sc h 1.0449±0.00559512
Z-Score: 1.3569±0.0853442
p-Value: 0.175606
Z-Factor: -0.660852
Fitness Defect: 1.7395
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:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09125±0.00397
Plate DMSO Control (-):0.95425±0.02934
Plate Z-Factor:0.9033
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DBLink | Rows returned: 78<< Back 11 12 13 Next >> 
6437118 (4E)-cyclohexadec-4-en-1-one
6438075 (4E)-3-methylcyclopentadec-4-en-1-one
6442289 (1S,6Z,10R)-2,7,11,11-tetramethylbicyclo[8.1.0]undec-6-en-3-one
6504767 (4E)-3-methylcyclopentadec-4-en-1-one
6857764 (4E)-4,11,11-trimethylbicyclo[7.2.0]undec-4-en-8-one
6993840 (1R,5S)-bicyclo[3.2.0]hept-3-en-7-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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