General Information of the Compound
| Compound ID |
CP0558273
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylidene-1,3-diazaspiro[4.4]nonan-3-yl]-2-(trifluoromethyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C23H16F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
471.46
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCCC2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16F3N3O3S/c24-23(25,26)18-10-15(4-3-13(18)11-27)28-20(31)22(7-1-2-8-22)29(21(28)33)16-5-6-17-14(9-16)12-32-19(17)30/h3-6,9-10H,1-2,7-8,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJZGLPLVBRZPEK-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