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Compound InformationSONAR Target prediction
Name:

Lumicolchicine gamma

Unique Identifier:Prest307
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H25NO6
Molecular Weight:376.254 g/mol
X log p:4.216  (online calculus)
Lipinksi Failures0
TPSA71.06
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:6
Canonical Smiles:COC1=CC2C(C1=O)C1C(CCc3cc(OC)c(OC)c(OC)c3C2=1)NC(C)=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2046.0000±0
Normalized OD Score: sc h 0.9784±0
Z-Score: -0.4879±0
p-Value: 0.625634
Z-Factor: -12.1266
Fitness Defect: 0.469
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:6|F4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.00 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1009.5±953.84240
Plate DMSO Control (-):2021±558.06298
Plate Z-Factor:-4.4864
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DBLink | Rows returned: 4
72624
110937
244898
6713941

internal high similarity DBLink | Rows returned: 0

active | Cluster 2172 | Additional Members: 11 | Rows returned: 3
Prest353 0.493506493506494
Prest875 0.386363636363636
SPE01800067 0.217391304347826

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