General Information of the Compound
| Compound ID |
CP0420631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,4-dimethyl-N-[1-[6-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]cinnoline-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18F3N5O
|
||||||||||||||||||
| Molecular Weight |
401.392
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1cccc(n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18F3N5O/c1-11-12(2)26-27-16-7-6-13(8-15(11)16)19(29)24-14-9-28(10-14)18-5-3-4-17(25-18)20(21,22)23/h3-8,14H,9-10H2,1-2H3,(H,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYNTUZWPMYZCLS-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