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Compound InformationSONAR Target prediction
Name:

BRUCINE

Unique Identifier:SPE01500822
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:371.281 g/mol
X log p:6.049  (online calculus)
Lipinksi Failures1
TPSA51.24
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:COc1cc2N3C4C5C(CC3=O)OCC=C3CN6CCC4(C6CC53)c2cc1OC
Class:alkaloid
Source:Strychnos nux-vomica
Reference:Progress in Organic Chemistry 1: 1 (1952)
Therapeutics:central stimulant

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4930±0.00268701
Normalized OD Score: sc h 1.0196±0.0287093
Z-Score: 0.5046±0.220144
p-Value: 0.618104
Z-Factor: -2.13332
Fitness Defect: 0.4811
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:25|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00119
Plate DMSO Control (-):0.495425±0.01575
Plate Z-Factor:0.8683
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DBLink | Rows returned: 171 2 3 Next >> 
9649
111096
111097
220520
296902
442021

internal high similarity DBLink | Rows returned: 1
SPE01500651 0.9012

active | Cluster 3109 | Additional Members: 4 | Rows returned: 0
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