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Compound InformationSONAR Target prediction
Name:

CYTISINE

Unique Identifier:SPE01504027
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:176.131 g/mol
X log p:5.941  (online calculus)
Lipinksi Failures1
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:O=C1C=CC=C2C3CNCC(C3)CN12
Class:alkaloid
Source:Thermopsis lanceolata
Reference:J Chem Soc 1932: 2778; Martindale 28th Ed, 1700 (1982)
Therapeutics:antiinflammatory, respiratory stimulant

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6525±0.00268701
Normalized OD Score: sc h 0.9875±0.00221586
Z-Score: 0.0531±0.121919
p-Value: 0.931396
Z-Factor: -22.4425
Fitness Defect: 0.0711
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00181
Plate DMSO Control (-):0.6274500000000001±0.01329
Plate Z-Factor:0.9330
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DBLink | Rows returned: 391 2 3 4 5 6 7 Next >> 
10235
10245
22124
22125
22406
22407

internal high similarity DBLink | Rows returned: 1
SPE01504023 0.9440

active | Cluster 16980 | Additional Members: 3 | Rows returned: 0
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