General Information of the Compound
| Compound ID |
CP0404818
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| Compound Name |
3-(4-tert-Butyl-phenyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-propionamide
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
CC(C)(C)c1ccc(CCC(=O)Nc2ccc3OCCOc3c2)cc1
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| InChI |
InChI=1S/C21H25NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-5,7-10,14H,6,11-13H2,1-3H3,(H,22,23)
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| InChIKey |
SKELLLNCSZWXGW-UHFFFAOYSA-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