General Information of the Compound
| Compound ID |
CP0502312
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| Compound Name |
3,3,3-Trifluoro-N-{3-[(6-fluoro-1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-phenyl-amino]-2,2-dimethyl-propyl}-2-hydroxy-2-methyl-propionamide
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| Structure |
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| Formula |
C22H23F4N3O4S
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| Molecular Weight |
501.502
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| Canonical SMILES |
CC(C)(CNC(=O)C(C)(O)C(F)(F)F)CN(C1=NS(=O)(=O)c2cc(F)ccc12)c1ccccc1
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| InChI |
InChI=1S/C22H23F4N3O4S/c1-20(2,12-27-19(30)21(3,31)22(24,25)26)13-29(15-7-5-4-6-8-15)18-16-10-9-14(23)11-17(16)34(32,33)28-18/h4-11,31H,12-13H2,1-3H3,(H,27,30)
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| InChIKey |
GAKQXDXJHZRVJC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound