General Information of the Compound
| Compound ID |
CP0498728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2Z)-N-[3-(dibutylamino)-2-hydroxypropoxy]-1,3-benzoxazole-2-carboximidoyl chloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H28ClN3O3
|
||||||||||||||||||
| Molecular Weight |
381.904
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(CCCC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H28ClN3O3/c1-3-5-11-23(12-6-4-2)13-15(24)14-25-22-18(20)19-21-16-9-7-8-10-17(16)26-19/h7-10,15,24H,3-6,11-14H2,1-2H3/b22-18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGTJVKNEPRGCLT-PYCFMQQDSA-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