General Information of the Compound
| Compound ID |
CP0552719
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
Show/Hide
|
||||||||||||||||||
| Formula |
C35H40N6O9
|
||||||||||||||||||
| Molecular Weight |
688.738
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H40N6O9/c1-49-34(47)27(14-7-8-17-37-35(48)50-22-23-10-3-2-4-11-23)40-29(42)20-38-33(46)31(44)28-15-9-19-41(28)30(43)21-39-32(45)25-16-18-36-26-13-6-5-12-24(25)26/h2-6,10-13,16,18,27-28H,7-9,14-15,17,19-22H2,1H3,(H,37,48)(H,38,46)(H,39,45)(H,40,42)/t27-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQICLVVSOBZEBA-NSOVKSMOSA-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