General Information of the Compound
| Compound ID |
CP0404819
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-methyl-acrylamide
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| Structure |
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
C\C(=C/c1ccc(cc1)C(C)(C)C)C(=O)Nc1ccc2OCCOc2c1
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| InChI |
InChI=1S/C22H25NO3/c1-15(13-16-5-7-17(8-6-16)22(2,3)4)21(24)23-18-9-10-19-20(14-18)26-12-11-25-19/h5-10,13-14H,11-12H2,1-4H3,(H,23,24)/b15-13+
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| InChIKey |
CQUMFSWBDOURQZ-FYWRMAATSA-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