General Information of the Compound
| Compound ID |
CP0919855
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Undecanoic acid (2-oxo-azepan-3-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H34N2O2
|
||||||||||||||||||
| Molecular Weight |
310.482
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H34N2O2/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-16-13-11-12-15-19-18(16)22/h16H,2-15H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIAKAUPPRWWLMA-INIZCTEOSA-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