General Information of the Compound
| Compound ID |
CP0418775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-3-[4-(benzenesulfonamido)-2-(2-carboxyethyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N2O6S
|
||||||||||||||||||
| Molecular Weight |
392.433
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1ccc(NS(=O)(=O)c2ccccc2)cc1CCC(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N2O6S/c19-16(18(23)24)11-13-6-8-14(10-12(13)7-9-17(21)22)20-27(25,26)15-4-2-1-3-5-15/h1-6,8,10,16,20H,7,9,11,19H2,(H,21,22)(H,23,24)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQLOKIQETOVNOS-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