General Information of the Compound
| Compound ID |
CP0452176
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| Compound Name |
(E)-6-[2-[[[3-chloro-4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-4-methylhex-4-enoic acid
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| Structure |
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| Formula |
C26H26ClNO5
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| Molecular Weight |
467.949
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| Canonical SMILES |
CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(-c2ccco2)c(Cl)c1
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| InChI |
InChI=1S/C26H26ClNO5/c1-18(9-12-25(29)30)13-15-33-23-7-4-3-6-20(23)17-28(2)26(31)19-10-11-21(22(27)16-19)24-8-5-14-32-24/h3-8,10-11,13-14,16H,9,12,15,17H2,1-2H3,(H,29,30)/b18-13+
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| InChIKey |
YYKDLRDBCUYDKY-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