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Compound Information SONAR Target prediction Name: Unique Identifier: SPE01300027 MolClass: Checkout models in ver1.5 and ver1.0 Molecular Formula: Molecular Weight: 800.505 g/mol X log p:   (online calculus) Lipinksi Failures TPSA Hydrogen Bond Donor Count: Hydrogen Bond Acceptors Count: Rotatable Bond Count: Canonical Smiles: CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3 )C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C43O)O2 Found: 13 nonactive as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >>  Species: 4932 Condition: IRE1 Replicates: 2 Raw OD Value: r im 0.8325±0.00636396 Normalized OD Score: sc h 0.9921±0.00303961 Z-Score: -0.2174±0.0902533 p-Value: 0.828264 Z-Factor: -5.4124 Fitness Defect: 0.1884 Bioactivity Statement: Nonactive Experimental Conditions Library: Spectrum_ED Plate Number and Position: 1|E10 Drug Concentration: 50.00 nM OD Absorbance: 595 nm Robot Temperature: 30.00 Celcius Date: 2010-08-10 YYYY-MM-DD Plate CH Control (+): 0.09475±0.00726 Plate DMSO Control (-): 0.98125±0.22794 Plate Z-Factor: -0.4294 png ps pdf DBLink | Rows returned: 0 internal high similarity DBLink | Rows returned: 0

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