General Information of the Compound
| Compound ID |
CP0900176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(Z)-3-Cyano-isoxazol-5-ylmethoxyimino]-1-azonia-bicyclo[2.2.1]heptane chloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H13ClN4O2
|
||||||||||||||||||
| Molecular Weight |
268.704
|
||||||||||||||||||
| Canonical SMILES |
Cl.N#Cc1cc(CO/N=C2\CN3CCC2C3)on1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H12N4O2.ClH/c12-4-9-3-10(17-13-9)7-16-14-11-6-15-2-1-8(11)5-15;/h3,8H,1-2,5-7H2;1H/b14-11+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNPZTBDUVCKZHK-JHGYPSGKSA-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