General Information of the Compound
| Compound ID |
CP0414256
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| Compound Name |
US9365558, 54
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| Structure |
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| Formula |
C29H33F7N4O4S
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| Molecular Weight |
666.66
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| Canonical SMILES |
CC(C)(C)Cn1ccc(n1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C29H33F7N4O4S/c1-26(2,3)16-40-13-11-22(38-40)19-15-27(29(34,35)36,37-24(41)23(19)25(42)39-45(43,44)18-8-9-18)20-10-7-17(14-21(20)30)6-4-5-12-28(31,32)33/h7,10-11,13-14,18H,4-6,8-9,12,15-16H2,1-3H3,(H,37,41)(H,39,42)/t27-/m0/s1
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| InChIKey |
WBKDLHUYSBIPLX-MHZLTWQESA-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