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Compound InformationSONAR Target prediction
Name:

BEBEERINE

Unique Identifier:SPE01503984
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C35H36N2O7
Molecular Weight:560.384 g/mol
X log p:23.052  (online calculus)
Lipinksi Failures1
TPSA52.63
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:2
Canonical Smiles:COc1cc2CCN(C)C3Oc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c32)cc7)N(C)CCc6cc5OC)
c4
Source:ex Aristolochia, Chondodendron & Cyclea spp
Reference:J Chem Soc 1939: 1157; JACS 68: 419 (1946); Phytochemistry 8: 2341 (1969)
Therapeutics:antimalarial, muscle relaxant

Found: 101 nonactive as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [101]
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.5885±0.000494975
Normalized OD Score: sc h 0.9603±0.0043343
Z-Score: -1.8624±0.149911
p-Value: 0.064021
Z-Factor: -1.68753
Fitness Defect: 2.7485
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.042125±0.00080
Plate DMSO Control (-):0.60535±0.01947
Plate Z-Factor:0.8803
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DBLink | Rows returned: 2
3583078
6708697

internal high similarity DBLink | Rows returned: 0

active | Cluster 3866 | Additional Members: 5 | Rows returned: 0
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