General Information of the Compound
| Compound ID |
CP0534325
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3R,8E,11R)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N2O4
|
||||||||||||||||||
| Molecular Weight |
330.384
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N2O4/c1-13(21)19-15-10-6-3-7-11-17(22)20-16(12-24-18(15)23)14-8-4-2-5-9-14/h2-6,8-9,15-16H,7,10-12H2,1H3,(H,19,21)(H,20,22)/b6-3+/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AINZSMIJPNBGRE-DBLORFJXSA-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