General Information of the Compound
| Compound ID |
CP0578057
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5R)-1-[2-[[(1S)-1-carboxy-3-phenylpropyl]amino]acetyl]-5-(4-methylphenyl)pyrrolidine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C24H28N2O5
|
||||||||||||||||||
| Molecular Weight |
424.497
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CN[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N2O5/c1-16-7-10-18(11-8-16)20-13-14-21(24(30)31)26(20)22(27)15-25-19(23(28)29)12-9-17-5-3-2-4-6-17/h2-8,10-11,19-21,25H,9,12-15H2,1H3,(H,28,29)(H,30,31)/t19-,20+,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVLQTFUZRYRSBE-HBMCJLEFSA-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: PT00932, Angiotensin-converting enzyme
Protein ID: PT01575, Neprilysin