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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 21 22 23 24 25 26 27 28 29 30  Next >> [114]
Species: 4932
Condition: COT1
Replicates: 2
Raw OD Value: r im 0.7345±0.00890955
Normalized OD Score: sc h 1.0300±0.00927586
Z-Score: 1.5580±0.500666
p-Value: 0.142225
Z-Factor: -3.30155
Fitness Defect: 1.9503
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2007-11-20 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00102
Plate DMSO Control (-):0.6935±0.02592
Plate Z-Factor:0.8722
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DBLink | Rows returned: 781 2 3 4 5 6 7 8 9 10  Next >> 
86818 2-methyl-3-(4-propan-2-yl-1-cyclohexenyl)propanal
92038 2-[(4-propan-2-yl-1-cyclohexenyl)methyl]cyclopentan-1-one
95184 n/a
98095 1-(1-cyclopent-2-enyl)propan-2-one
101695 2-(2,6,6-trimethyl-1-cyclohex-2-enyl)acetaldehyde
118111 3-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)propanal

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

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

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