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Compound InformationSONAR Target prediction
Name:

ISOXICAM

Unique Identifier:SPE01503242
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:antiinflammatory

Found: 199 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [199]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7069±0.0059397
Normalized OD Score: sc h 0.9746±0.00353777
Z-Score: -1.3470±0.15799
p-Value: 0.180681
Z-Factor: -1.96169
Fitness Defect: 1.711
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00055
Plate DMSO Control (-):0.713525±0.01410
Plate Z-Factor:0.9355
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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
Prest505 0.295081967213115
Prest573 0
SPE01500491 0

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