General Information of the Compound
| Compound ID |
CP0421257
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| Compound Name |
(E)-4-(4-tert-Butyl-phenyl)-5-(2,3-dihydro-benzo[1,4]dioxin-6-ylcarbamoyl)-pent-4-enoic acid ethyl ester
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| Structure |
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| Formula |
C26H31NO5
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| Molecular Weight |
437.536
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| Canonical SMILES |
CCOC(=O)CC\C(=C/C(=O)Nc1ccc2OCCOc2c1)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C26H31NO5/c1-5-30-25(29)13-8-19(18-6-9-20(10-7-18)26(2,3)4)16-24(28)27-21-11-12-22-23(17-21)32-15-14-31-22/h6-7,9-12,16-17H,5,8,13-15H2,1-4H3,(H,27,28)/b19-16+
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| InChIKey |
BQVRRSBEEJDHHY-KNTRCKAVSA-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