General Information of the Compound
| Compound ID |
CP0574144
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, N-[(+/-)-2-Methyl-3- benzylaminopropanoyl]-(+/-)- valyl-(3,4-dihydro-2H-1,5- benzodioxepin-7- ylmethyl)amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N3O4
|
||||||||||||||||||
| Molecular Weight |
453.583
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(NC(=O)C(C)CNCc1ccccc1)C(=O)NCc1ccc2OCCCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N3O4/c1-18(2)24(29-25(30)19(3)15-27-16-20-8-5-4-6-9-20)26(31)28-17-21-10-11-22-23(14-21)33-13-7-12-32-22/h4-6,8-11,14,18-19,24,27H,7,12-13,15-17H2,1-3H3,(H,28,31)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYWRIACPLUERIR-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