General Information of the Compound
| Compound ID |
CP0504690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[1-(2,6-dimethoxypyridin-3-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N6O2S
|
||||||||||||||||||
| Molecular Weight |
406.471
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(OC)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N6O2S/c1-27-17-4-3-16(19(23-17)28-2)25-10-6-13-15(5-8-21-18(13)25)26-11-7-14(24-26)20-22-9-12-29-20/h3-5,7-9,11-12H,6,10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRECDPZFMULSJT-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