General Information of the Compound
| Compound ID |
CP0528419
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4,4-dimethyl-5-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C21H14F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
445.422
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc2C(=O)OCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14F3N3O3S/c1-20(2)18(29)26(13-4-3-11(9-25)16(8-13)21(22,23)24)19(31)27(20)14-5-6-15-12(7-14)10-30-17(15)28/h3-8H,10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHBBZZXQLPAANU-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 | |||||||||||||||||||
| 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