General Information of the Compound
| Compound ID |
CP0481592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(4-ethoxy-phenyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32F2N4O3
|
||||||||||||||||||
| Molecular Weight |
534.607
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(cc1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32F2N4O3/c1-4-39-24-13-11-22(12-14-24)28-21(2)36(20-25-26(31)9-7-10-27(25)32)30(38)35(29(28)37)19-18-34(3)17-15-23-8-5-6-16-33-23/h5-14,16H,4,15,17-20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEBRVJPYFRVBHS-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