General Information of the Compound
| Compound ID |
CP0124386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23F2N5O2
|
||||||||||||||||||
| Molecular Weight |
403.433
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)C3CC3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23F2N5O2/c21-11-3-4-15(22)13(5-11)18-16(23)6-12(9-29-18)27-7-14-17(8-27)25-26-19(14)24-20(28)10-1-2-10/h3-5,10,12,16,18H,1-2,6-9,23H2,(H2,24,25,26,28)/t12-,16+,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJAFKNCIAPNTJW-PZPSRYQVSA-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