General Information of the Compound
| Compound ID |
CP0493837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2-ethoxyanilino)methyl]-5-quinolin-2-yl-1,3,4-oxadiazole-2-thione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4O2S
|
||||||||||||||||||
| Molecular Weight |
378.457
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccccc1NCn1nc(oc1=S)-c1ccc2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4O2S/c1-2-25-18-10-6-5-9-16(18)21-13-24-20(27)26-19(23-24)17-12-11-14-7-3-4-8-15(14)22-17/h3-12,21H,2,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTNYONGYWGFWHL-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