General Information of the Compound
| Compound ID |
CP0950579
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| Compound Name |
dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(5,5'-(9,10-dihydro-5H-naphtho[8,1,2-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 |
C43H52N8O7
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| Molecular Weight |
792.938
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc3c4c(c2)COc2cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc(c2-4)CC3)[nH]1)C(C)C
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| InChI |
InChI=1S/C43H52N8O7/c1-22(2)36(48-42(54)56-5)40(52)50-13-7-9-31(50)38-44-19-29(46-38)26-15-24-11-12-25-16-27(18-33-35(25)34(24)28(17-26)21-58-33)30-20-45-39(47-30)32-10-8-14-51(32)41(53)37(23(3)4)49-43(55)57-6/h15-20,22-23,31-32,36-37H,7-14,21H2,1-6H3,(H,44,46)(H,45,47)(H,48,54)(H,49,55)/t31-,32-,36-,37-/m0/s1
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| InChIKey |
AFEBXOJHFRECOQ-RFOOMBAZSA-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