General Information of the Compound
| Compound ID |
CP0446173
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| Compound Name |
2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(4,4,4-trifluorobutyl)acetamide
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| Structure |
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| Formula |
C22H27F3N2O4
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| Molecular Weight |
440.462
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| Canonical SMILES |
FC(F)(F)CCCNC(=O)C[C@@H]1C\C=C\CCC(=O)O[C@@H](CNC1=O)c1ccccc1
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| InChI |
InChI=1S/C22H27F3N2O4/c23-22(24,25)12-7-13-26-19(28)14-17-10-5-2-6-11-20(29)31-18(15-27-21(17)30)16-8-3-1-4-9-16/h1-5,8-9,17-18H,6-7,10-15H2,(H,26,28)(H,27,30)/b5-2+/t17-,18-/m0/s1
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| InChIKey |
GELMVQBWAPVGHJ-ZYQPHWHESA-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