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Compound InformationSONAR Target prediction
Name:

Isoxicam

Unique Identifier:Prest505
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H13N3O5S
Molecular Weight:322.233 g/mol
X log p:10.866  (online calculus)
Lipinksi Failures1
TPSA84.42
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:CN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O

Found: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 15239.0000±0
Normalized OD Score: sc h 0.8360±0
Z-Score: -4.5630±0
p-Value: 0.00000504182
Z-Factor: -0.161694
Fitness Defect: 12.1977
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:1|E5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18471.5±2737.44289
Plate DMSO Control (-):18271±1230.24317
Plate Z-Factor:-192.4333
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 16469 | Additional Members: 9 | Rows returned: 4
SPE01504150 0.353846153846154
SPE01503242 0.295081967213115
Prest573 0
SPE01500491 0

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