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Compound InformationSONAR Target prediction
Name:

Thiocolchicoside

Unique Identifier:Prest875
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H33NO10S
Molecular Weight:530.356 g/mol
X log p:8.571  (online calculus)
Lipinksi Failures2
TPSA96.36
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:11
Rotatable Bond Count:8
Canonical Smiles:COc1c(OC2OC(CO)C(O)C(O)C2O)cc2CCC(NC(C)=O)C3=CC(=O)C(SC)=CC=C3c2c1OC

Found: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 15464.0000±0
Normalized OD Score: sc h 0.8561±0
Z-Score: -4.0028±0
p-Value: 0.0000625862
Z-Factor: -1.94321
Fitness Defect: 9.679
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|F10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18050±2247.77104
Plate DMSO Control (-):18225±2038.51752
Plate Z-Factor:-32.1903
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DBLink | Rows returned: 4
72067
287691
6426824
6604276

internal high similarity DBLink | Rows returned: 0

active | Cluster 2172 | Additional Members: 11 | Rows returned: 2
Prest353 0.493506493506494
SPE01800067 0.217391304347826

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