General Information of the Compound
| Compound ID |
CP0404820
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-phenyl-acrylamide
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| Structure |
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| Formula |
C27H27NO3
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| Molecular Weight |
413.517
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C(\C(=O)Nc2ccc3OCCOc3c2)c2ccccc2)cc1
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| InChI |
InChI=1S/C27H27NO3/c1-27(2,3)21-11-9-19(10-12-21)17-23(20-7-5-4-6-8-20)26(29)28-22-13-14-24-25(18-22)31-16-15-30-24/h4-14,17-18H,15-16H2,1-3H3,(H,28,29)/b23-17+
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| InChIKey |
ZJIDHFOJKAKUDL-HAVVHWLPSA-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