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Compound InformationSONAR Target prediction
Name:

Tetrandrine

Unique Identifier:Prest1118
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C38H42N2O6
Molecular Weight:582.432 g/mol
X log p:23.132  (online calculus)
Lipinksi Failures1
TPSA61.86
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:4
Canonical Smiles:COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(Oc5cc6C(Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC
)c34

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2000.0000±0
Normalized OD Score: sc h 0.9795±0
Z-Score: -0.4620±0
p-Value: 0.644046
Z-Factor: -11.4023
Fitness Defect: 0.44
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|C11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):934.5±887.42587
Plate DMSO Control (-):1947.5±635.64730
Plate Z-Factor:-4.7271
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DBLink | Rows returned: 451 2 3 4 5 6 7 8 Next >> 
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internal high similarity DBLink | Rows returned: 0

active | Cluster 11120 | Additional Members: 9 | Rows returned: 1
SPE01504185 0

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