General Information of the Compound
| Compound ID |
CP0416273
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| Compound Name |
benzyl (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoate
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| Structure |
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| Formula |
C19H16O4
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| Molecular Weight |
308.333
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| Canonical SMILES |
O=C(OCc1ccccc1)\C=C\C=C\c1ccc2OCOc2c1
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| InChI |
InChI=1S/C19H16O4/c20-19(21-13-16-7-2-1-3-8-16)9-5-4-6-15-10-11-17-18(12-15)23-14-22-17/h1-12H,13-14H2/b6-4+,9-5+
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| InChIKey |
HMGGLRRJVAZNKZ-REZHQCRGSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B