General Information of the Compound
| Compound ID |
CP0444675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(2S)-2-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H23FN4O4
|
||||||||||||||||||
| Molecular Weight |
462.481
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23FN4O4/c26-17-9-7-16(8-10-17)14-28-25(34)23(32)21-6-3-13-30(21)22(31)15-29-24(33)19-11-12-27-20-5-2-1-4-18(19)20/h1-2,4-5,7-12,21H,3,6,13-15H2,(H,28,34)(H,29,33)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMQRTHDFJIGKOK-NRFANRHFSA-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