General Information of the Compound
| Compound ID |
CP0482088
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| Compound Name |
[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 7-[1-[7-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-7-oxoheptyl]triazol-4-yl]heptanoate
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| Structure |
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| Formula |
C56H71N7O6
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| Molecular Weight |
938.227
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| Canonical SMILES |
COc1ccc2nccc([C@@H](OC(=O)CCCCCCc3cn(CCCCCCC(=O)O[C@@H]([C@@H]4C[C@@H]5CCN4C[C@@H]5C=C)c4ccnc5ccc(OC)cc45)nn3)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
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| InChI |
InChI=1S/C56H71N7O6/c1-5-38-35-61-29-24-40(38)31-51(61)55(45-22-26-57-49-20-18-43(66-3)33-47(45)49)68-53(64)16-12-8-7-11-15-42-37-63(60-59-42)28-14-10-9-13-17-54(65)69-56(52-32-41-25-30-62(52)36-39(41)6-2)46-23-27-58-50-21-19-44(67-4)34-48(46)50/h5-6,18-23,26-27,33-34,37-41,51-52,55-56H,1-2,7-17,24-25,28-32,35-36H2,3-4H3/t38-,39-,40-,41-,51-,52-,55+,56+/m0/s1
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| InChIKey |
WVEOBPSYAJIWOE-LQRBVVCKSA-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