General Information of the Compound
| Compound ID |
CP0501157
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((R)-3-Amino-5-methyl-hexyl)-3-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27F3N4O4
|
||||||||||||||||||
| Molecular Weight |
492.498
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(CC[C@H](N)CC(C)C)c(=O)n(Cc2c(F)cccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27F3N4O4/c1-14(2)12-15(28)10-11-29-22(32)30(13-16-17(25)6-4-7-18(16)26)24(34)31(23(29)33)19-8-5-9-20(35-3)21(19)27/h4-9,14-15H,10-13,28H2,1-3H3/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPDKIJOYDSUDNV-HNNXBMFYSA-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