General Information of the Compound
| Compound ID |
CP0423362
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-yl]-5-chloro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Formula |
C24H25ClF3N7
|
||||||||||||||||||
| Molecular Weight |
503.96
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)N3CCN4CCCCC4C3)ncc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25ClF3N7/c25-20-14-30-23(33-22(20)31-17-5-3-4-16(12-17)24(26,27)28)32-21-8-7-18(13-29-21)35-11-10-34-9-2-1-6-19(34)15-35/h3-5,7-8,12-14,19H,1-2,6,9-11,15H2,(H2,29,30,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKDRVNVJLPIYKX-UHFFFAOYSA-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: PT02790, Dipeptidyl peptidase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000159 | L-02 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|