General Information of the Compound
| Compound ID |
CP0418778
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-3-[2-(2-carboxyethyl)-4-[(4-nitrobenzoyl)amino]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N3O7
|
||||||||||||||||||
| Molecular Weight |
401.375
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1CCC(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O7/c20-16(19(26)27)10-13-1-5-14(9-12(13)4-8-17(23)24)21-18(25)11-2-6-15(7-3-11)22(28)29/h1-3,5-7,9,16H,4,8,10,20H2,(H,21,25)(H,23,24)(H,26,27)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKWIGOBETYZORB-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
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3