General Information of the Compound
| Compound ID |
CP0946589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-4-[2,5-Dioxo-4-hydroxymethyl-3-(1-methylethyl)-4-phenylimidazolidin-1-yl]-2-trifluoromethylbenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F3N3O3
|
||||||||||||||||||
| Molecular Weight |
417.387
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(CO)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F3N3O3/c1-13(2)27-19(30)26(16-9-8-14(11-25)17(10-16)21(22,23)24)18(29)20(27,12-28)15-6-4-3-5-7-15/h3-10,13,28H,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLOBYTIYOMGQRT-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