General Information of the Compound
| Compound ID |
CP0947114
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| Compound Name |
dimethyl (1R,1'R)-2,2'-((3S,3'S,5S,5'S)-5,5'-(5,5'-(5,10-dihydrochromeno[5,4,3-cde]chromene-2,7-diyl)bis(1H-imidazole-5,2-diyl))bis(3-methylpyrrolidine-5,1-diyl))bis(2-oxo-1-phenylethane-2,1-diyl)dicarbamate
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| Structure |
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| Formula |
C50H50N8O8
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| Molecular Weight |
890.998
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| Canonical SMILES |
COC(=O)N[C@@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc([C@@H]6C[C@H](C)CN6C(=O)[C@H](NC(=O)OC)c6ccccc6)[nH]5)cc(c2-4)OC3)[nH]1)c1ccccc1
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| InChI |
InChI=1S/C50H50N8O8/c1-27-15-37(57(23-27)47(59)43(55-49(61)63-3)29-11-7-5-8-12-29)45-51-21-35(53-45)31-17-33-25-66-40-20-32(18-34-26-65-39(19-31)41(33)42(34)40)36-22-52-46(54-36)38-16-28(2)24-58(38)48(60)44(56-50(62)64-4)30-13-9-6-10-14-30/h5-14,17-22,27-28,37-38,43-44H,15-16,23-26H2,1-4H3,(H,51,53)(H,52,54)(H,55,61)(H,56,62)/t27-,28-,37-,38-,43+,44+/m0/s1
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| InChIKey |
YVZQRLVWWUUZGO-PWFYYZSVSA-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