General Information of the Compound
Compound ID |
CP0554621
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Compound Name |
US10435369, Example 185
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Structure |
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Formula |
C26H24F8N2O4S
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Molecular Weight |
612.539
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Canonical SMILES |
CC(=O)NCC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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InChI |
InChI=1S/C26H24F8N2O4S/c1-14(37)35-13-22(38)36-21-10-11-23(41(39,40)18-6-4-17(27)5-7-18)19-9-3-16(12-15(19)2-8-20(21)23)24(28,25(29,30)31)26(32,33)34/h3-7,9,12,20-21H,2,8,10-11,13H2,1H3,(H,35,37)(H,36,38)/t20-,21+,23+/m0/s1
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InChIKey |
MMHWOVRTJVIWTP-QZNHQXDQSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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