General Information of the Compound
| Compound ID |
CP0445191
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| Compound Name |
US9422235, 64
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| Structure |
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| Formula |
C21H25Cl2F3N2O2S
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| Molecular Weight |
497.41
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| Canonical SMILES |
CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
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| InChI |
InChI=1S/C21H25Cl2F3N2O2S/c1-19(2,3)12-20(4,5)28-31(29,30)18-9-7-14(11-15(18)21(24,25)26)27-17-8-6-13(22)10-16(17)23/h6-11,27-28H,12H2,1-5H3
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| InChIKey |
MXZVYDXZRAJVDA-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