General Information of the Compound
| Compound ID |
CP0415530
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| Compound Name |
(E)-6-[4-fluoro-2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-4-methylhex-4-enoic acid
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| Structure |
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| Formula |
C26H26FNO5
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| Molecular Weight |
451.494
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| Canonical SMILES |
CN(Cc1cc(F)ccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
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| InChI |
InChI=1S/C26H26FNO5/c1-18(5-12-25(29)30)13-15-33-24-11-10-22(27)16-21(24)17-28(2)26(31)20-8-6-19(7-9-20)23-4-3-14-32-23/h3-4,6-11,13-14,16H,5,12,15,17H2,1-2H3,(H,29,30)/b18-13+
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| InChIKey |
IHXBWTJILXKJFQ-QGOAFFKASA-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