General Information of the Compound
| Compound ID |
CP0532104
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-amino-2-(3-fluoro-5-methylphenyl)ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F4N3O3
|
||||||||||||||||||
| Molecular Weight |
527.518
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)c2cc(C)cc(F)c2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F4N3O3/c1-15-10-17(12-18(29)11-15)23(33)14-35-27(36)25(19-6-4-9-24(38-3)26(19)32)16(2)34(28(35)37)13-20-21(30)7-5-8-22(20)31/h4-12,23H,13-14,33H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RAMUENAWUVHEJI-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