General Information of the Compound
Compound ID |
CP0397733
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
1-(2,6-Difluoro-benzyl)-5-(3,4-dimethoxy-phenyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C30H32F2N4O4
|
||||||||||||||||||
Molecular Weight |
550.606
|
||||||||||||||||||
Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C30H32F2N4O4/c1-20-28(21-11-12-26(39-3)27(18-21)40-4)29(37)35(17-16-34(2)15-13-22-8-5-6-14-33-22)30(38)36(20)19-23-24(31)9-7-10-25(23)32/h5-12,14,18H,13,15-17,19H2,1-4H3
Show/Hide
|
||||||||||||||||||
InChIKey |
ZWXTXHVKXSLONG-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