General Information of the Compound
| Compound ID |
CP0566450
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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] 9-[1-[9-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-9-oxononyl]triazol-4-yl]nonanoate
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| Structure |
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| Formula |
C60H79N7O6
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| Molecular Weight |
994.335
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| Canonical SMILES |
COc1ccc2nccc([C@@H](OC(=O)CCCCCCCCc3cn(CCCCCCCCC(=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/C60H79N7O6/c1-5-42-39-65-33-28-44(42)35-55(65)59(49-26-30-61-53-24-22-47(70-3)37-51(49)53)72-57(68)20-16-12-8-7-11-15-19-46-41-67(64-63-46)32-18-14-10-9-13-17-21-58(69)73-60(56-36-45-29-34-66(56)40-43(45)6-2)50-27-31-62-54-25-23-48(71-4)38-52(50)54/h5-6,22-27,30-31,37-38,41-45,55-56,59-60H,1-2,7-21,28-29,32-36,39-40H2,3-4H3/t42-,43-,44-,45-,55-,56-,59+,60+/m0/s1
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| InChIKey |
KAILNJQNHIGTNA-VWTKTFGCSA-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