General Information of the Compound
| Compound ID |
CP0493672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-ethyl-3-[[4-[(E)-3-(4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]imidazo[4,5-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N5
|
||||||||||||||||||
| Molecular Weight |
403.574
|
||||||||||||||||||
| Canonical SMILES |
CCc1nc2cccnc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N5/c1-4-24-27-23-8-5-13-26-25(23)30(24)19-22-11-9-21(10-12-22)7-6-14-28-15-17-29(18-16-28)20(2)3/h5-13,20H,4,14-19H2,1-3H3/b7-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEBXLIVSKIOKEF-VOTSOKGWSA-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: PT06238, G-protein coupled receptor 4
Protein ID: PT07048, G-protein coupled receptor 4
Protein ID: PT06663, G-protein coupled receptor 4