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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 201 202 203 204 205
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 1.0171±0.00367696
Normalized OD Score: sc h 0.9878±0.00234412
Z-Score: 0.9524±0.0528393
p-Value: 0.341206
Z-Factor: -3.9945
Fitness Defect: 1.0753
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:19|G3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.001025±0.00256
Plate DMSO Control (-):0.9952500000000001±0.02580
Plate Z-Factor:0.9244
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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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