General Information of the Compound
| Compound ID |
CP0422396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15ClN2O3
|
||||||||||||||||||
| Molecular Weight |
330.771
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1nnc(COc2ccc(Cl)cc2C)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15ClN2O3/c1-11-8-13(18)6-7-15(11)22-10-16-19-20-17(23-16)12-4-3-5-14(9-12)21-2/h3-9H,10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWSMRVPKFALRIV-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
Protein ID: PT06716, Anoctamin-1
Protein ID: PT06826, Anoctamin-2