General Information of the Compound
| Compound ID |
CP0445519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N5O3
|
||||||||||||||||||
| Molecular Weight |
407.474
|
||||||||||||||||||
| Canonical SMILES |
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cccnc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N5O3/c28-20-15-30-19-7-2-1-5-17(19)26(20)12-4-11-25-13-8-16(9-14-25)27-18-6-3-10-23-21(18)24-22(27)29/h1-3,5-7,10,16H,4,8-9,11-15H2,(H,23,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQELUVZMNVVOHX-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: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2