General Information of the Compound
| Compound ID |
CP0422450
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| Compound Name |
2-phenylethyl (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoate
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| Structure |
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| Formula |
C20H18O4
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| Molecular Weight |
322.36
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| Canonical SMILES |
O=C(OCCc1ccccc1)\C=C\C=C\c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H18O4/c21-20(22-13-12-16-6-2-1-3-7-16)9-5-4-8-17-10-11-18-19(14-17)24-15-23-18/h1-11,14H,12-13,15H2/b8-4+,9-5+
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| InChIKey |
GHVDWDIRSZSZAZ-KBXRYBNXSA-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