General Information of the Compound
| Compound ID |
CP0447983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-5-[2-[4-[2-[2-methyl-6-(tetrazol-1-yl)pyridin-3-yl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N7O3
|
||||||||||||||||||
| Molecular Weight |
461.526
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N7O3/c1-16-18(3-5-20-21(16)14-34-24(20)33)7-8-29-9-11-30(12-10-29)23(32)13-19-4-6-22(26-17(19)2)31-15-25-27-28-31/h3-6,15H,7-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOEXNGQPLLKQCN-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 | |||||||||||||||||||
| 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: PT03661, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2