General Information of the Compound
| Compound ID |
CP0511235
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[2-(5-methoxy-2,3-dihydroindol-1-yl)-6-methylpyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N5OS
|
||||||||||||||||||
| Molecular Weight |
389.484
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2N(CCc2c1)c1cc(cc(C)n1)-n1ccc(n1)-c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N5OS/c1-14-11-16(26-9-6-18(24-26)21-22-7-10-28-21)13-20(23-14)25-8-5-15-12-17(27-2)3-4-19(15)25/h3-4,6-7,9-13H,5,8H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFSWHVKCNMWGJB-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