General Information of the Compound
| Compound ID |
CP0569973
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[7-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N5O3
|
||||||||||||||||||
| Molecular Weight |
505.663
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-c2nc3cc(ccn3c2CN2CCOCC2)N2CCN(CC2)C2CCCC2)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N5O3/c1-35-24-7-8-25(27(20-24)36-2)29-26(21-31-15-17-37-18-16-31)34-10-9-23(19-28(34)30-29)33-13-11-32(12-14-33)22-5-3-4-6-22/h7-10,19-20,22H,3-6,11-18,21H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCUHHLRTYPPVLV-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9