General Information of the Compound
| Compound ID |
CP0222225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{3-Carbamoyl-5-[(ethyl-pyridin-4-ylmethyl-amino)-methyl]-phenyl}-acrylic acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O3
|
||||||||||||||||||
| Molecular Weight |
367.449
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)\C=C\c1cc(CN(CC)Cc2ccncc2)cc(c1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O3/c1-3-24(14-16-7-9-23-10-8-16)15-18-11-17(5-6-20(25)27-4-2)12-19(13-18)21(22)26/h5-13H,3-4,14-15H2,1-2H3,(H2,22,26)/b6-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQGQZLAMURTSHP-AATRIKPKSA-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