General Information of the Compound
| Compound ID |
CP0372401
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| Compound Name |
(2E,2'E)-(1,1'-(2-((4-(((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2-(hydroxymethyl)propane-1,3-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene) bis(3-(3,4-dihydroxyphenyl)acrylate)
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| Structure |
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| Formula |
C41H39N9O13
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| Molecular Weight |
865.813
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| Canonical SMILES |
OCC(Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1)(Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1)Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1
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| InChI |
InChI=1S/C41H39N9O13/c51-25-41(22-48-16-29(42-45-48)19-61-38(58)10-4-26-1-7-32(52)35(55)13-26,23-49-17-30(43-46-49)20-62-39(59)11-5-27-2-8-33(53)36(56)14-27)24-50-18-31(44-47-50)21-63-40(60)12-6-28-3-9-34(54)37(57)15-28/h1-18,51-57H,19-25H2/b10-4+,11-5+,12-6+
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| InChIKey |
QNIUSFFOWAISNA-ZDLWVMOESA-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