General Information of the Compound
| Compound ID |
CP0545203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N5O2
|
||||||||||||||||||
| Molecular Weight |
461.61
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N5O2/c1-19(2)32-17-21(6-7-25(32)33)22-8-11-28-27-23(22)16-24(29-27)20-9-14-30(15-10-20)18-26(34)31-12-4-3-5-13-31/h6-8,11,16-17,19-20H,3-5,9-10,12-15,18H2,1-2H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GLYHKPNATCXTDU-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