General Information of the Compound
| Compound ID |
CP0373650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Isoxazoyl-Cha-Ile-4-aminophenyl-(4morpholin-1-yl)ethan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H43N5O6
|
||||||||||||||||||
| Molecular Weight |
581.714
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H43N5O6/c1-3-21(2)28(31(40)33-24-11-9-23(10-12-24)20-27(37)36-15-17-41-18-16-36)35-29(38)25(19-22-7-5-4-6-8-22)34-30(39)26-13-14-32-42-26/h9-14,21-22,25,28H,3-8,15-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,38)/t21-,25-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWOTZEOYDURMEW-QLADTWODSA-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