General Information of the Compound
| Compound ID |
CP0548331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C20H14F3N5O2S
|
||||||||||||||||||
| Molecular Weight |
445.426
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc2CC3(Cc2c1)NC(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14F3N5O2S/c1-25-16(29)10-2-3-11-6-19(7-12(11)4-10)17(30)28(18(31)27-19)13-5-14(20(21,22)23)15(8-24)26-9-13/h2-5,9H,6-7H2,1H3,(H,25,29)(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIYUFTVAWMTBHU-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