General Information of the Compound
| Compound ID |
CP0553231
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[[2-(2-methoxy-6-methylpyridin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N5O2S
|
||||||||||||||||||
| Molecular Weight |
401.536
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(C)n1)N1CCC2(CCN(Cc3cnc(NC(C)=O)s3)C2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N5O2S/c1-14-8-16(9-18(22-14)27-3)25-7-5-20(13-25)4-6-24(12-20)11-17-10-21-19(28-17)23-15(2)26/h8-10H,4-7,11-13H2,1-3H3,(H,21,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPFUSZWWPACECA-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