General Information of the Compound
| Compound ID |
CP0404797
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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
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| Structure |
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| Formula |
C24H27NO5
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| Molecular Weight |
409.482
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(\CCC(O)=O)=C\C(=O)Nc1ccc2OCCOc2c1
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| InChI |
InChI=1S/C24H27NO5/c1-24(2,3)18-7-4-16(5-8-18)17(6-11-23(27)28)14-22(26)25-19-9-10-20-21(15-19)30-13-12-29-20/h4-5,7-10,14-15H,6,11-13H2,1-3H3,(H,25,26)(H,27,28)/b17-14+
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| InChIKey |
BDTXEMMMBFGWFG-SAPNQHFASA-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