Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound Information SONAR 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 Failures 1 TPSA 81.18 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 1 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 png ps pdf DBLink | Rows returned: 0 internal high similarity DBLink | Rows returned: 0 nonactive | Cluster 3124 | Additional Members: 12 | Rows returned: 8 1 2 Next >>  Prest1169 0.483870967741936 Prest675 0.46031746031746 4569-1457 0.450704225352113 Prest359 0.370967741935484 LOPAC 01029 0.370967741935484 LAT002F08 0

Service provided by the Mike Tyers Laboratory