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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 << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 10286.0000±0
Normalized OD Score: sc h 0.8934±0
Z-Score: -2.9655±0
p-Value: 0.00302224
Z-Factor: -4.15073
Fitness Defect: 5.8018
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 (+):22309.5±7874.12854
Plate DMSO Control (-):12130±7429.00076
Plate Z-Factor:-6.0556
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3124 | Additional Members: 12 | Rows returned: 81 2 Next >> 
000A-0229 0.492063492063492
Prest675 0.46031746031746
4569-1457 0.450704225352113
Prest359 0.370967741935484
LOPAC 01029 0.370967741935484
LAT002F08 0

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