General Information of the Compound
| Compound ID |
CP0492850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-{2-[(pyridin-2-ylmethyl)-amino]-propyl}-1H-pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28F2N4O3
|
||||||||||||||||||
| Molecular Weight |
506.553
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)NCc2ccccn2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28F2N4O3/c1-18(32-15-21-9-4-5-13-31-21)16-34-27(35)26(20-8-6-10-22(14-20)37-3)19(2)33(28(34)36)17-23-24(29)11-7-12-25(23)30/h4-14,18,32H,15-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPBYZYBHFFPQKX-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