General Information of the Compound
| Compound ID |
CP0152241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-(methylamino)-3H-benzimidazol-5-yl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21N7O2
|
||||||||||||||||||
| Molecular Weight |
379.424
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21N7O2/c1-20-18-23-13-3-2-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-6-28-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H2,20,23,24)(H,21,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNCXJXHENRZPRH-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