General Information of the Compound
| Compound ID |
CP0419185
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(cycloheptylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H22N2OS
|
||||||||||||||||||
| Molecular Weight |
254.399
|
||||||||||||||||||
| Canonical SMILES |
CCC1(C)SC(NC2CCCCCC2)=NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H22N2OS/c1-3-13(2)11(16)15-12(17-13)14-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCGPLZDZWSCWQN-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