General Information of the Compound
| Compound ID |
CP0550356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-bromo-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16BrN5O2
|
||||||||||||||||||
| Molecular Weight |
402.252
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1cccc(Br)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16BrN5O2/c1-3-13-9-15(24)21-17(19-13)23-14(7-10(2)22-23)20-16(25)11-5-4-6-12(18)8-11/h4-9H,3H2,1-2H3,(H,20,25)(H,19,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOVSHLIABPDKFC-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 | |||||||||||||||||||
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: PT06356, Adenylate cyclase type 1
Protein ID: PT06357, Adenylate cyclase type 8