General Information of the Compound
| Compound ID |
CP0541445
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-2-(1-methylimidazol-2-yl)-6-(morpholin-4-ylmethyl)-1,4-dihydropyrimidine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25BrFN5O3
|
||||||||||||||||||
| Molecular Weight |
506.376
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25BrFN5O3/c1-3-32-22(30)18-17(13-29-8-10-31-11-9-29)26-20(21-25-6-7-28(21)2)27-19(18)15-5-4-14(24)12-16(15)23/h4-7,12,19H,3,8-11,13H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLJOMZUCFFRBLV-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: PT00295, Capsid protein
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2