General Information of the Compound
| Compound ID |
CP0473229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2S)-1-({(2S,4S)-4-[2-(6,7-Dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N4O3S
|
||||||||||||||||||
| Molecular Weight |
386.477
|
||||||||||||||||||
| Canonical SMILES |
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N4O3S/c20-10-14-2-1-5-23(14)19(26)15-8-13(18(25)21-15)9-17(24)22-6-3-12-4-7-27-16(12)11-22/h4,7,13-15H,1-3,5-6,8-9,11H2,(H,21,25)/t13-,14-,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTZMSDAPQLNSRC-KKUMJFAQSA-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: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9
Protein ID: PT01241, Prolyl endopeptidase FAP