General Information of the Compound
| Compound ID |
CP0441737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,4R)-2-amino-4-[(E)-3-(4-cyanophenyl)prop-2-enyl]pentanedioic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H16N2O4
|
||||||||||||||||||
| Molecular Weight |
288.303
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](C[C@@H](C\C=C\c1ccc(cc1)C#N)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16N2O4/c16-9-11-6-4-10(5-7-11)2-1-3-12(14(18)19)8-13(17)15(20)21/h1-2,4-7,12-13H,3,8,17H2,(H,18,19)(H,20,21)/b2-1+/t12-,13+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCTVQIDZKYRCLW-XXUGLENDSA-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: PT01518, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02754, Glutamate receptor ionotropic, kainate 2