General Information of the Compound
| Compound ID |
CP0569004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-amino-2-(4-methylsulfanylphenyl)ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
541.595
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)c2ccc(SC)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26F3N3O3S/c1-16-25(19-6-4-9-24(37-2)26(19)31)27(35)34(15-23(32)17-10-12-18(38-3)13-11-17)28(36)33(16)14-20-21(29)7-5-8-22(20)30/h4-13,23H,14-15,32H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMDSDWCKKQYFLG-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