General Information of the Compound
| Compound ID |
CP0372402
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| Compound Name |
(E)-2-(4-(cinnamoyloxymethyl)-1H-1,2,3-triazol-1-yl)ethyl 3-(3,4-dihydroxyphenyl)acrylate
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| Structure |
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| Formula |
C23H21N3O6
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| Molecular Weight |
435.436
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)OCCn2cc(COC(=O)\C=C\c3ccccc3)nn2)cc1O
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| InChI |
InChI=1S/C23H21N3O6/c27-20-9-6-18(14-21(20)28)8-11-22(29)31-13-12-26-15-19(24-25-26)16-32-23(30)10-7-17-4-2-1-3-5-17/h1-11,14-15,27-28H,12-13,16H2/b10-7+,11-8+
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| InChIKey |
KETMVSVVUMRVOJ-AMMQDNIMSA-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