General Information of the Compound
| Compound ID |
CP0569513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C32H31N5O2
|
||||||||||||||||||
| Molecular Weight |
517.633
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31N5O2/c38-32(36-13-10-29(11-14-36)35-15-17-39-18-16-35)24-3-1-23(2-4-24)28-7-8-31-34-21-30(37(31)22-28)26-5-6-27-20-33-12-9-25(27)19-26/h1-9,12,19-22,29H,10-11,13-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIWGILRASQNZHL-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 | |||||||||||||||||||
| 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
Protein ID: PT02258, MAP kinase-interacting serine/threonine-protein kinase 1
Protein ID: PT01269, MAP kinase-interacting serine/threonine-protein kinase 2