General Information of the Compound
| Compound ID |
CP0423068
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C7H15BN2O5
|
||||||||||||||||||
| Molecular Weight |
218.018
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZQMHVURPDKZHO-WHFBIAKZSA-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: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9