General Information of the Compound
| Compound ID |
CP0572339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[2-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]amino]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N2O4
|
||||||||||||||||||
| Molecular Weight |
352.39
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCNC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N2O4/c23-18(13-12-15-7-2-1-3-8-15)22-17-10-5-4-9-16(17)20(26)21-14-6-11-19(24)25/h1-5,7-10,12-13H,6,11,14H2,(H,21,26)(H,22,23)(H,24,25)/b13-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVBCYGBRMMUZFI-OUKQBFOZSA-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