General Information of the Compound
| Compound ID |
CP0498265
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| Compound Name |
(E)-3-(5-tert-Butyl-pyridin-2-yl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acrylamide
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)nc1
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| InChI |
InChI=1S/C20H22N2O3/c1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)/b9-7+
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| InChIKey |
WWGXPJUVPNDVAZ-VQHVLOKHSA-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