General Information of the Compound
| Compound ID |
CP0415304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[2-(2-phenyldiazenylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C22H27N3O3
|
||||||||||||||||||
| Molecular Weight |
381.476
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCCN(CCOCCc2ccccc2\N=N\c2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O3/c26-22(27)19-8-6-13-25(17-19)14-16-28-15-12-18-7-4-5-11-21(18)24-23-20-9-2-1-3-10-20/h1-5,7,9-11,19H,6,8,12-17H2,(H,26,27)/b24-23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYPKVNMTQQPHHG-WCWDXBQESA-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 | |||||||||||||||||||
| 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