General Information of the Compound
| Compound ID |
CP0460082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[4-[3-[4-[3-[[4-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]methylamino]-4-oxobutyl]-(2,2-dimethylpropanoyl)amino]propyl]phenyl]propyl-(2,2-dimethylpropanoyl)amino]butanoylamino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C62H92Cl2N8O10
|
||||||||||||||||||
| Molecular Weight |
1180.37
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCN(CCCc2ccc(CCCN(CCCC(=O)NCC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)C(=O)C(C)(C)C)cc2)C(=O)C(C)(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C62H92Cl2N8O10/c1-61(2,3)59(77)71(27-11-15-55(73)67-41-45-21-29-69(30-22-45)33-35-81-57(75)47-37-49(63)51(65)39-53(47)79-7)25-9-13-43-17-19-44(20-18-43)14-10-26-72(60(78)62(4,5)6)28-12-16-56(74)68-42-46-23-31-70(32-24-46)34-36-82-58(76)48-38-50(64)52(66)40-54(48)80-8/h17-20,37-40,45-46H,9-16,21-36,41-42,65-66H2,1-8H3,(H,67,73)(H,68,74)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVEAYKCEDMSPLI-UHFFFAOYSA-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