General Information of the Compound
| Compound ID |
CP0527561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-3'-cyclopentyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H21F4N5O2S
|
||||||||||||||||||
| Molecular Weight |
531.535
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1cc2CC3(Cc2cc1F)N(C1CCCC1)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F4N5O2S/c1-31-21(35)17-6-13-9-24(10-14(13)7-19(17)26)22(36)33(23(37)34(24)15-4-2-3-5-15)16-8-18(25(27,28)29)20(11-30)32-12-16/h6-8,12,15H,2-5,9-10H2,1H3,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMOFOYJGYHPOON-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