General Information of the Compound
| Compound ID |
CP0407918
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S)-2-(2-methylpropyl)-N-[(3S)-2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-N'-[(E)-4-phenylbut-2-enyl]-3-propylbutanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H51N3O4
|
||||||||||||||||||
| Molecular Weight |
637.865
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NC\C=C\Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H51N3O4/c1-4-16-35(38(44)41-25-13-11-19-31-17-7-5-8-18-31)36(27-30(2)3)39(45)42-37-24-12-14-26-43(40(37)46)29-32-20-15-23-34(28-32)47-33-21-9-6-10-22-33/h5-11,13,15,17-18,20-23,28,30,35-37H,4,12,14,16,19,24-27,29H2,1-3H3,(H,41,44)(H,42,45)/b13-11+/t35-,36+,37-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WALSWAQNKBKFPJ-YWPWCQROSA-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