General Information of the Compound
| Compound ID |
CP0558862
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[[1-(3-amino-2,2-difluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
Show/Hide
|
||||||||||||||||||
| Formula |
C22H27F2N5O3
|
||||||||||||||||||
| Molecular Weight |
447.486
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2c(cnc(NC3CCN(CC3)C(=O)C(F)(F)CN)c2[nH]c1=O)C1=CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27F2N5O3/c1-13-10-16-17(14-4-8-32-9-5-14)11-26-19(18(16)28-20(13)30)27-15-2-6-29(7-3-15)21(31)22(23,24)12-25/h4,10-11,15H,2-3,5-9,12,25H2,1H3,(H,26,27)(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTQRBAXLTKDECT-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 | |||||||||||||||||||