General Information of the Compound
| Compound ID |
CP0965933
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
{5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-{1H-pyrrolo[2,3-b]pyridin-3-yl}quinolin-4-yl)methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O
|
||||||||||||||||||
| Molecular Weight |
410.521
|
||||||||||||||||||
| Canonical SMILES |
C=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(-c3c[nH]c4ncccc34)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O/c1-2-16-15-30-11-8-17(16)13-24(30)25(31)19-7-10-27-23-6-5-18(12-21(19)23)22-14-29-26-20(22)4-3-9-28-26/h2-7,9-10,12,14,16-17,24-25,31H,1,8,11,13,15H2,(H,28,29)/t16?,17?,24?,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MEOUPMOIPDCJAL-SPBIILDVSA-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
Protein ID: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B