General Information of the Compound
| Compound ID |
CP0398060
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-3-[2-(2-carboxyethyl)-5-chloro-4-[(4-nitrobenzoyl)amino]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClN3O7
|
||||||||||||||||||
| Molecular Weight |
435.82
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1cc(Cl)c(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1CCC(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClN3O7/c20-14-7-12(8-15(21)19(27)28)11(3-6-17(24)25)9-16(14)22-18(26)10-1-4-13(5-2-10)23(29)30/h1-2,4-5,7,9,15H,3,6,8,21H2,(H,22,26)(H,24,25)(H,27,28)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWEDKCIEYYFOQJ-HNNXBMFYSA-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