General Information of the Compound
| Compound ID |
CP0003558
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| Compound Name |
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one
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| Structure |
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| Formula |
C16H17NO4
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| Molecular Weight |
287.315
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| Canonical SMILES |
O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCOCC1
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| InChI |
InChI=1S/C16H17NO4/c18-16(17-7-9-19-10-8-17)4-2-1-3-13-5-6-14-15(11-13)21-12-20-14/h1-6,11H,7-10,12H2/b3-1+,4-2+
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| InChIKey |
BVFLEPVRTQXJQL-ZPUQHVIOSA-N
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| CAS |
26163-80-4
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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