General Information of the Compound
| Compound ID |
CP0481660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(8-((3,5-dichloropyridin-4-yl)methoxy)-2-methylquinolin-4-yl)-3-methylisothiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15Cl2N3OS
|
||||||||||||||||||
| Molecular Weight |
416.333
|
||||||||||||||||||
| Canonical SMILES |
Cc1nscc1-c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15Cl2N3OS/c1-11-6-14(16-10-27-25-12(16)2)13-4-3-5-19(20(13)24-11)26-9-15-17(21)7-23-8-18(15)22/h3-8,10H,9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKTNJBCILJOSFJ-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