General Information of the Compound
| Compound ID |
CP0416274
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| Compound Name |
benzyl (2E,4E)-5-(1,3-benzodioxol-5-yl)-2-cyanopenta-2,4-dienoate
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| Structure |
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| Formula |
C20H15NO4
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| Molecular Weight |
333.343
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| Canonical SMILES |
O=C(OCc1ccccc1)C(=C\C=C\c1ccc2OCOc2c1)\C#N
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| InChI |
InChI=1S/C20H15NO4/c21-12-17(20(22)23-13-16-5-2-1-3-6-16)8-4-7-15-9-10-18-19(11-15)25-14-24-18/h1-11H,13-14H2/b7-4+,17-8+
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| InChIKey |
CLKKKMAMQMSUHK-AQHRCUNFSA-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