General Information of the Compound
| Compound ID |
CP0422462
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| Compound Name |
2-phenylethyl (2E,4E)-5-(1,3-benzodioxol-5-yl)-2-cyanopenta-2,4-dienoate
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| Structure |
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| Formula |
C21H17NO4
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| Molecular Weight |
347.37
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| Canonical SMILES |
O=C(OCCc1ccccc1)C(=C\C=C\c1ccc2OCOc2c1)\C#N
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| InChI |
InChI=1S/C21H17NO4/c22-14-18(21(23)24-12-11-16-5-2-1-3-6-16)8-4-7-17-9-10-19-20(13-17)26-15-25-19/h1-10,13H,11-12,15H2/b7-4+,18-8+
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| InChIKey |
HYQFLNHEULFMEY-FLGOTCTISA-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