General Information of the Compound
| Compound ID |
CP0865374
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| Compound Name |
dimethyl (2S,2'S,3S,3'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-oxopentane-2,1-diyl)dicarbamate
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| Structure |
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| Formula |
C44H54N8O8
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| Molecular Weight |
822.964
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)[nH]5)cc(c2-4)OC3)[nH]1
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| InChI |
InChI=1S/C44H54N8O8/c1-7-23(3)37(49-43(55)57-5)41(53)51-13-9-11-31(51)39-45-19-29(47-39)25-15-27-21-60-34-18-26(16-28-22-59-33(17-25)35(27)36(28)34)30-20-46-40(48-30)32-12-10-14-52(32)42(54)38(24(4)8-2)50-44(56)58-6/h15-20,23-24,31-32,37-38H,7-14,21-22H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t23-,24-,31-,32-,37-,38-/m0/s1
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| InChIKey |
HYLMTEUPACFZBJ-BIKBBBLQSA-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