General Information of the Compound
| Compound ID |
CP0407532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2Z)-N-[3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropoxy]-1,3-benzoxazole-2-carboximidoyl chloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24ClN3O3
|
||||||||||||||||||
| Molecular Weight |
365.861
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCC(C)N1CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24ClN3O3/c1-12-6-5-7-13(2)22(12)10-14(23)11-24-21-17(19)18-20-15-8-3-4-9-16(15)25-18/h3-4,8-9,12-14,23H,5-7,10-11H2,1-2H3/b21-17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKKHOWMSVUDXPK-FXBPSFAMSA-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