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Compound InformationSONAR Target prediction
Name:

Methiazole

Unique Identifier:Prest1169
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H15N3O2S
Molecular Weight:250.213 g/mol
X log p:6.369  (online calculus)
Lipinksi Failures1
TPSA63.96
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:COC(=O)Nc1nc2ccc(SC(C)C)cc2n1

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 667.0000±0
Normalized OD Score: sc h 0.9653±0
Z-Score: -0.7831±0
p-Value: 0.433596
Z-Factor: -30.8834
Fitness Defect: 0.8356
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:14|D11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):666±537.71391
Plate DMSO Control (-):769.5±270.43450
Plate Z-Factor:-41.4809
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3124 | Additional Members: 12 | Rows returned: 8<< Back 1 2
SPE01501110 0
Prest310 0

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