General Information of the Compound
| Compound ID |
CP0500567
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-6-dimethylamino-hex-2-enoic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
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| Structure |
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| Formula |
C26H34N2O3
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| Molecular Weight |
422.569
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| Canonical SMILES |
CN(C)CCC\C(=C/C(=O)Nc1ccc2OCCOc2c1)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C26H34N2O3/c1-26(2,3)21-10-8-19(9-11-21)20(7-6-14-28(4)5)17-25(29)27-22-12-13-23-24(18-22)31-16-15-30-23/h8-13,17-18H,6-7,14-16H2,1-5H3,(H,27,29)/b20-17+
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| InChIKey |
RANYXAKUNNDPOJ-LVZFUZTISA-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