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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: 2 nonactive | as graph: single | with analogs 1 2 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1784.0000±0
Normalized OD Score: sc h 0.8627±0
Z-Score: -3.0937±0
p-Value: 0.00197669
Z-Factor: -18.3883
Fitness Defect: 6.2263
Bioactivity Statement: Nonactive
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 (+):1020±963.92163
Plate DMSO Control (-):2084±569.64618
Plate Z-Factor:-4.4103
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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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