General Information of the Compound
| Compound ID |
CP0560423
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,7-dimethyl-3-[[4-[(E)-3-(4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H39N5
|
||||||||||||||||||
| Molecular Weight |
445.655
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H39N5/c1-6-8-26-30-27-22(4)19-23(5)29-28(27)33(26)20-25-12-10-24(11-13-25)9-7-14-31-15-17-32(18-16-31)21(2)3/h7,9-13,19,21H,6,8,14-18,20H2,1-5H3/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRULGZXBNNHQKE-VQHVLOKHSA-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