General Information of the Compound
| Compound ID |
CP0482087
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 7-[4-[5-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-5-oxopentyl]triazol-1-yl]heptanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C54H67N7O6
|
||||||||||||||||||
| Molecular Weight |
910.173
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nccc([C@@H](OC(=O)CCCCCCn3cc(CCCCC(=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
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C54H67N7O6/c1-5-36-33-59-27-22-38(36)29-49(59)53(43-20-24-55-47-18-16-41(64-3)31-45(43)47)66-51(62)14-9-7-8-12-26-61-35-40(57-58-61)13-10-11-15-52(63)67-54(50-30-39-23-28-60(50)34-37(39)6-2)44-21-25-56-48-19-17-42(65-4)32-46(44)48/h5-6,16-21,24-25,31-32,35-39,49-50,53-54H,1-2,7-15,22-23,26-30,33-34H2,3-4H3/t36-,37-,38-,39-,49-,50-,53+,54+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPAQOEWKCXIZPF-CDHSKXSJSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound