General Information of the Compound
| Compound ID |
CP0572891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-[1-(2-methoxyethyl)-6-oxopyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N5O3
|
||||||||||||||||||
| Molecular Weight |
437.544
|
||||||||||||||||||
| Canonical SMILES |
COCCn1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N5O3/c1-27(2)23(31)16-28-10-7-17(8-11-28)21-14-20-19(6-9-25-24(20)26-21)18-4-5-22(30)29(15-18)12-13-32-3/h4-6,9,14-15,17H,7-8,10-13,16H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVRDRCYJXTWAPJ-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