General Information of the Compound
| Compound ID |
CP0377460
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,4R)-2-amino-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pentanedioic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19NO5
|
||||||||||||||||||
| Molecular Weight |
293.319
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1\C=C\C[C@H](C[C@H](N)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19NO5/c1-21-13-8-3-2-5-10(13)6-4-7-11(14(17)18)9-12(16)15(19)20/h2-6,8,11-12H,7,9,16H2,1H3,(H,17,18)(H,19,20)/b6-4+/t11-,12+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHFLJQCBAJUWAE-XCOQAZTISA-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: PT03542, Glutamate receptor 1
Protein ID: PT01829, Glutamate receptor 2
Protein ID: PT03593, Glutamate receptor 4
Protein ID: PT01518, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02754, Glutamate receptor ionotropic, kainate 2
Protein ID: PT04971, Glutamate receptor ionotropic, kainate 3
Protein ID: PT03594, Glutamate receptor ionotropic, kainate 5