General Information of the Compound
| Compound ID |
CP0507612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-({(2S,4S)-4-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26FN5O3
|
||||||||||||||||||
| Molecular Weight |
427.48
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26FN5O3/c23-16-3-5-17(6-4-16)26-8-10-27(11-9-26)20(29)13-15-12-19(25-21(15)30)22(31)28-7-1-2-18(28)14-24/h3-6,15,18-19H,1-2,7-13H2,(H,25,30)/t15-,18-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAUFVTOXNBPOCA-SNRMKQJTSA-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