General Information of the Compound
| Compound ID |
CP0576424
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-(1-acetylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N4O2
|
||||||||||||||||||
| Molecular Weight |
378.476
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N4O2/c1-14(2)26-13-17(4-5-21(26)28)18-6-9-23-22-19(18)12-20(24-22)16-7-10-25(11-8-16)15(3)27/h4-6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PAUYYBCIBSAKEX-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 | |||||||||||||||||||
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