General Information of the Compound
| Compound ID |
CP0475598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-5-[2-[4-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N8O3
|
||||||||||||||||||
| Molecular Weight |
448.487
|
||||||||||||||||||
| Canonical SMILES |
Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1cnc(cn1)-n1cnnn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N8O3/c1-15-16(2-3-18-19(15)13-33-22(18)32)4-5-28-6-8-29(9-7-28)21(31)10-17-11-24-20(12-23-17)30-14-25-26-27-30/h2-3,11-12,14H,4-10,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQKGZDNRWOXOMB-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