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Compound InformationSONAR Target prediction
Name:

Colchicine

Unique Identifier:Prest695
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H25NO6
Molecular Weight:374.239 g/mol
X log p:9.286  (online calculus)
Lipinksi Failures1
TPSA71.06
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:6
Canonical Smiles:COC1=CC=C2C(=CC1=O)C(CCc1cc(OC)c(OC)c(OC)c12)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 1833.0000±0
Normalized OD Score: sc h 0.8979±0
Z-Score: -2.3008±0
p-Value: 0.021401
Z-Factor: -1756.21
Fitness Defect: 3.8443
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:5|E4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.80 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):967.5±954.39230
Plate DMSO Control (-):2031±542.13094
Plate Z-Factor:-4.5046
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DBLink | Rows returned: 71 2 Next >> 
2833
6167
23758
53278
450692
537229

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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