General Information of the Compound
| Compound ID |
CP0417856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]ethyl]pyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20F3N7O3
|
||||||||||||||||||
| Molecular Weight |
439.398
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20F3N7O3/c19-18(20,21)17-25-24-13-9-26(4-5-28(13)17)14(29)7-10-6-12(23-15(10)30)16(31)27-3-1-2-11(27)8-22/h10-12H,1-7,9H2,(H,23,30)/t10-,11-,12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KITTXCKZJBJAGL-SRVKXCTJSA-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