General Information of the Compound
| Compound ID |
CP0865361
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| Compound Name |
dimethyl (1S,1'S)-2,2'-((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(1-cyclopentyl-2-oxoethane-2,1-diyl)dicarbamate
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| Structure |
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| Formula |
C46H54N8O8
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| Molecular Weight |
846.986
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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)C6CCCC6)[nH]5)cc(c2-4)OC3)[nH]1)C1CCCC1
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| InChI |
InChI=1S/C46H54N8O8/c1-59-45(57)51-39(25-9-3-4-10-25)43(55)53-15-7-13-33(53)41-47-21-31(49-41)27-17-29-23-62-36-20-28(18-30-24-61-35(19-27)37(29)38(30)36)32-22-48-42(50-32)34-14-8-16-54(34)44(56)40(52-46(58)60-2)26-11-5-6-12-26/h17-22,25-26,33-34,39-40H,3-16,23-24H2,1-2H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t33-,34-,39-,40-/m0/s1
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| InChIKey |
MUHHEXCKCJEKCA-XFEDHCIASA-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