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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 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6838±0.00304056
Normalized OD Score: sc h 0.9798±0.000750326
Z-Score: -1.0995±0.0241841
p-Value: 0.271602
Z-Factor: -3.65678
Fitness Defect: 1.3034
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04227500000000001±0.00068
Plate DMSO Control (-):0.6801±0.01862
Plate Z-Factor:0.9086
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DBLink | Rows returned: 2
3583078
6708697

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3866 | Additional Members: 5 | Rows returned: 2
Prest489 0.170212765957447
SPE01500602 0

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