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Compound InformationSONAR Target prediction
Name:

CRESOPYRINE

Unique Identifier:SPE01401414
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:184.105 g/mol
X log p:5.436  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)Oc1c(C)cccc1C(O)=O
Source:synthetic
Therapeutics:antiinflammatory, antpyretic

Found: 192 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [192]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.7462±0.0548715
Normalized OD Score: sc h 0.9860±0.0369175
Z-Score: -0.7738±2.06718
p-Value: 0.258454
Z-Factor: -7.18599
Fitness Defect: 1.353
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.0393±0.00136
Plate DMSO Control (-):0.7314±0.04966
Plate Z-Factor:0.7672
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DBLink | Rows returned: 2
78094 2-acetyloxy-3-methyl-benzoic acid
6918960 2-acetyloxy-3-methyl-benzoate

internal high similarity DBLink | Rows returned: 3
LOPAC 00659 0.9403
SPE00211363 0.9403
SB 01734 1.0000

nonactive | Cluster 15454 | Additional Members: 4 | Rows returned: 1
SPE01503032 0.476190476190476

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