General Information of the Compound
| Compound ID |
CP0243027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20F3N5O3
|
||||||||||||||||||
| Molecular Weight |
459.428
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20F3N5O3/c23-22(24,25)33-17-5-3-15(4-6-17)18-13-26-14-19(29-18)21(31)28-12-16-2-1-7-27-20(16)30-8-10-32-11-9-30/h1-7,13-14H,8-12H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNUQEWXMJUEUKA-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 | |||||||||||||||||||
| 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