General Information of the Compound
| Compound ID |
CP0160370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[[2-[2-methyl-5-(trifluoromethyl)pyridin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24F3N5OS
|
||||||||||||||||||
| Molecular Weight |
439.507
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)ncc3C(F)(F)F)C2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24F3N5OS/c1-13-7-17(16(9-24-13)20(21,22)23)28-6-4-19(12-28)3-5-27(11-19)10-15-8-25-18(30-15)26-14(2)29/h7-9H,3-6,10-12H2,1-2H3,(H,25,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJEQMSMNZTUSRS-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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