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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: CTF18
Replicates: 2
Raw OD Value: r im 0.5984±0.00601041
Normalized OD Score: sc h 1.0236±0.000260739
Z-Score: 1.0666±0.113696
p-Value: 0.287688
Z-Factor: -2.96355
Fitness Defect: 1.2459
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-11-01 YYYY-MM-DD
Plate CH Control (+):0.041425000000000003±0.00060
Plate DMSO Control (-):0.5799000000000001±0.01859
Plate Z-Factor:0.8854
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DBLink | Rows returned: 78<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
576614 1-(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)propan-2-one
577032 2-(4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl)acetaldehyde
577599 1-ethyl-5,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
579163 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)propan-2-one
579297 3-(2,6,6-trimethyl-1-cyclohexenyl)propanal
583872 4-(3,3,5-trimethyl-4-bicyclo[4.1.0]hept-4-enyl)butan-2-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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