General Information of the Compound
| Compound ID |
CP0277971
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R,E)-N-(4-chlorobenzyl)-2-(5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27ClN2O4
|
||||||||||||||||||
| Molecular Weight |
406.91
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCCCC(=O)OCCNC2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27ClN2O4/c22-18-10-8-16(9-11-18)15-24-19(25)14-17-6-4-2-1-3-5-7-20(26)28-13-12-23-21(17)27/h2,4,8-11,17H,1,3,5-7,12-15H2,(H,23,27)(H,24,25)/b4-2+/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOZQUAOEHCYANX-NKEDHYFDSA-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