General Information of the Compound
| Compound ID |
CP0391569
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-4-phenyl-but-2-enoic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
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| Structure |
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| Formula |
C28H29NO3
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| Molecular Weight |
427.544
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(\Cc1ccccc1)=C\C(=O)Nc1ccc2OCCOc2c1
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| InChI |
InChI=1S/C28H29NO3/c1-28(2,3)23-11-9-21(10-12-23)22(17-20-7-5-4-6-8-20)18-27(30)29-24-13-14-25-26(19-24)32-16-15-31-25/h4-14,18-19H,15-17H2,1-3H3,(H,29,30)/b22-18+
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| InChIKey |
DEOOBPPKXZRIEW-RELWKKBWSA-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