General Information of the Compound
| Compound ID |
CP0459138
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| Compound Name |
(E)-(1-(2-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)ethyl)-1H-1,2,3-triazol-4-yl)methyl 3-(3,4-dihydroxyphenyl)acrylate
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| Structure |
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| Formula |
C23H21N3O8
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| Molecular Weight |
467.434
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)OCCn2cc(COC(=O)\C=C\c3ccc(O)c(O)c3)nn2)cc1O
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| InChI |
InChI=1S/C23H21N3O8/c27-18-5-1-15(11-20(18)29)3-7-22(31)33-10-9-26-13-17(24-25-26)14-34-23(32)8-4-16-2-6-19(28)21(30)12-16/h1-8,11-13,27-30H,9-10,14H2/b7-3+,8-4+
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| InChIKey |
PDDFHNASJYTIQF-FCXRPNKRSA-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