General Information of the Compound
| Compound ID |
CP0379821
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-[1-(3,5-difluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F2N4O2
|
||||||||||||||||||
| Molecular Weight |
400.429
|
||||||||||||||||||
| Canonical SMILES |
CC(Nc1cc(F)cc(F)c1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F2N4O2/c1-13-7-18(14(2)24-17-9-15(22)8-16(23)10-17)21-25-19(11-20(28)27(21)12-13)26-3-5-29-6-4-26/h7-12,14,24H,3-6H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDLIVPXYLKDDJK-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