General Information of the Compound
| Compound ID |
CP0495244
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-5-methyl-hex-2-enoic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
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| Structure |
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| Formula |
C25H31NO3
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| Molecular Weight |
393.527
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| Canonical SMILES |
CC(C)C\C(=C/C(=O)Nc1ccc2OCCOc2c1)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C25H31NO3/c1-17(2)14-19(18-6-8-20(9-7-18)25(3,4)5)15-24(27)26-21-10-11-22-23(16-21)29-13-12-28-22/h6-11,15-17H,12-14H2,1-5H3,(H,26,27)/b19-15+
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| InChIKey |
SHGJSGCAJRTIIG-XDJHFCHBSA-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