General Information of the Compound
| Compound ID |
CP0386089
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,4R)-2-amino-4-[3-oxo-3-(prop-2-ynylamino)propyl]pentanedioic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H16N2O5
|
||||||||||||||||||
| Molecular Weight |
256.258
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](C[C@@H](CCC(=O)NCC#C)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H16N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h1,7-8H,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHHVDWVNPMQYAK-SFYZADRCSA-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: PT01414, Glutamate receptor 2
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3