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Compound InformationSONAR Target prediction
Name:

Unique Identifier:000A-0229
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H15N3O4S
Molecular Weight:282.212 g/mol
X log p:5.098  (online calculus)
Lipinksi Failures1
TPSA81.18
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:6
Canonical Smiles:CCCS(=O)(=O)c1ccc2nc(NC(=O)OC)nc2c1

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 4932
Condition: gpr1-2nd
Replicates: 2
Raw OD Value: r im 0.7083±0.0480833
Normalized OD Score: sc h 1.0662±0.0117378
Z-Score: 1.6845±0.00654572
p-Value: 0.09209
Z-Factor: -3.79265
Fitness Defect: 2.385
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:1|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.045±0.00221
Plate DMSO Control (-):0.062725±0.27174
Plate Z-Factor:-3.3000
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3124 | Additional Members: 12 | Rows returned: 5
Prest1273 0.491803278688525
LOPAC 01029 0.370967741935484
LAT002F08 0
SPE01501110 0
Prest310 0

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