General Information of the Compound
| Compound ID |
CP0514505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-Amino-2-(2-fluoro-phenyl)-ethyl]-3-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20F4N4O4
|
||||||||||||||||||
| Molecular Weight |
516.451
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(CC(N)c2ccccc2F)c(=O)n(Cc2c(F)cccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20F4N4O4/c1-37-21-11-5-10-20(22(21)29)33-24(35)31(12-15-17(27)8-4-9-18(15)28)23(34)32(25(33)36)13-19(30)14-6-2-3-7-16(14)26/h2-11,19H,12-13,30H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWIHJZDDTCLXRN-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