General Information of the Compound
| Compound ID |
CP0547959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-oxo-2-[(2S)-2-[2-oxo-2-(pentylamino)acetyl]pyrrolidin-1-yl]ethyl]quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C23H28N4O4
|
||||||||||||||||||
| Molecular Weight |
424.501
|
||||||||||||||||||
| Canonical SMILES |
CCCCCNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N4O4/c1-2-3-6-12-25-23(31)21(29)19-10-7-14-27(19)20(28)15-26-22(30)17-11-13-24-18-9-5-4-8-16(17)18/h4-5,8-9,11,13,19H,2-3,6-7,10,12,14-15H2,1H3,(H,25,31)(H,26,30)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZUHSCPMFLPTMN-IBGZPJMESA-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 | |||||||||||||||||||
| 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: PT00907, Dipeptidyl peptidase 4
Protein ID: PT01241, Prolyl endopeptidase FAP