General Information of the Compound
| Compound ID |
CP0436196
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Phenyl-isothiazole-3-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3OS
|
||||||||||||||||||
| Molecular Weight |
313.426
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CN2CCC1CC2)c1cc(sn1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3OS/c21-17(18-15-11-20-8-6-12(15)7-9-20)14-10-16(22-19-14)13-4-2-1-3-5-13/h1-5,10,12,15H,6-9,11H2,(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUGCSSXNWNFFQS-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