General Information of the Compound
| Compound ID |
CP0400473
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| Compound Name |
US9422235, 74
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| Structure |
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| Formula |
C20H27F3N2O2S
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| Molecular Weight |
416.509
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| Canonical SMILES |
CC(C)(NS(=O)(=O)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C20H27F3N2O2S/c1-19(2,14-5-6-14)25-28(26,27)18-8-7-15(11-16(18)20(21,22)23)24-17-10-12-3-4-13(17)9-12/h7-8,11-14,17,24-25H,3-6,9-10H2,1-2H3
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| InChIKey |
XIMWVTODMNEYPM-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