General Information of the Compound
| Compound ID |
CP0865360
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| Compound Name |
dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(5,5'-(5,10-dihydrochromeno[5,4,3-cde]chromene-2,7-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate
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| Structure |
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| Formula |
C42H50N8O8
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| Molecular Weight |
794.91
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc(c2-4)OC3)[nH]1)C(C)C
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| InChI |
InChI=1S/C42H50N8O8/c1-21(2)35(47-41(53)55-5)39(51)49-11-7-9-29(49)37-43-17-27(45-37)23-13-25-19-58-32-16-24(14-26-20-57-31(15-23)33(25)34(26)32)28-18-44-38(46-28)30-10-8-12-50(30)40(52)36(22(3)4)48-42(54)56-6/h13-18,21-22,29-30,35-36H,7-12,19-20H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t29-,30-,35-,36-/m0/s1
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| InChIKey |
CZJLHTLISCSKPK-ACZARZSMSA-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: PT00149, Nonstructural protein 5A
Cell-based Assay