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Compound InformationSONAR Target prediction
Name:

BISABOLOL

Unique Identifier:SPE00307057
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:172.139 g/mol
X log p:4.221  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCC(O)C1CCC(C)=CC1
Class:sesquiterpene
Source:Abies, Pinaceae and related species
Therapeutics:antiinflammatory, antiulcer, antiseptic, antitubercular

Found: 205 nonactive as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: SDH2
Replicates: 2
Raw OD Value: r im 0.7179±0.00947523
Normalized OD Score: sc h 0.9972±0.0127075
Z-Score: -0.1533±0.707594
p-Value: 0.620952
Z-Factor: -17.4862
Fitness Defect: 0.4765
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-04-18 YYYY-MM-DD
Plate CH Control (+):0.042050000000000004±0.00068
Plate DMSO Control (-):0.704725±0.01760
Plate Z-Factor:0.8995
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DBLink | Rows returned: 2
3969976 4-methyl-1-(4-methyl-1-cyclohex-3-enyl)pent-3-en-1-ol
6708662 (1S)-4-methyl-1-(4-methyl-1-cyclohex-3-enyl)pent-3-en-1-ol

internal high similarity DBLink | Rows returned: 6
SPE01504073 0.9211
SPE00107022 0.9231
SPE01500847 0.9231
SPE01504051 0.9231
NRB 03754 0.9250
SPE00300055 0.9474

active | Cluster 1902 | Additional Members: 1 | Rows returned: 0

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