General Information of the Compound
| Compound ID |
CP0442878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, (-)-(3R)-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N-isobutyl-1-[(2- methoxypyridin-3- ylmethyl)pyrrolidine-3- carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34ClN3O4
|
||||||||||||||||||
| Molecular Weight |
488.028
|
||||||||||||||||||
| Canonical SMILES |
COc1ncccc1CN1CC[C@H](C1)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34ClN3O4/c1-18(2)14-30(15-19-12-22(27)24-23(13-19)33-10-5-11-34-24)26(31)21-7-9-29(17-21)16-20-6-4-8-28-25(20)32-3/h4,6,8,12-13,18,21H,5,7,9-11,14-17H2,1-3H3/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LZHHPZAUVGQCSX-OAQYLSRUSA-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