General Information of the Compound
| Compound ID |
CP0440427
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl (2S)-2-[[2-(3-hydroxy-2-oxopyridin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23N3O5
|
||||||||||||||||||
| Molecular Weight |
445.475
|
||||||||||||||||||
| Canonical SMILES |
Oc1cccn(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23N3O5/c29-22-11-6-12-28(24(22)31)15-23(30)27-21(25(32)33-16-17-7-2-1-3-8-17)13-18-14-26-20-10-5-4-9-19(18)20/h1-12,14,21,26,29H,13,15-16H2,(H,27,30)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEFBFISDEVURKN-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 | |||||||||||||||||||
| 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: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05005, Interleukin-1 receptor antagonist protein