General Information of the Compound
| Compound ID |
CP0550309
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[4-cyano-3-(trifluoromethyl)phenyl]-6-fluoro-N,3'-dimethyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H16F4N4O2S
|
||||||||||||||||||
| Molecular Weight |
476.455
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1cc2CC3(Cc2cc1F)N(C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16F4N4O2S/c1-28-18(31)15-5-12-8-21(9-13(12)6-17(15)23)19(32)30(20(33)29(21)2)14-4-3-11(10-27)16(7-14)22(24,25)26/h3-7H,8-9H2,1-2H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCZLQDQOPOVWHH-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