General Information of the Compound
| Compound ID |
CP0344449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-Phenyl-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14F3N3OS
|
||||||||||||||||||
| Molecular Weight |
389.402
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14F3N3OS/c1-18(2)16(26)24(17(27)25(18)13-6-4-3-5-7-13)14-9-8-12(11-23)15(10-14)19(20,21)22/h3-10H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIJFURMPKGXAOI-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