General Information of the Compound
| Compound ID |
CP0574575
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16F3N5O2
|
||||||||||||||||||
| Molecular Weight |
391.353
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16F3N5O2/c1-3-13-9-15(27)24-17(22-13)26-14(7-10(2)25-26)23-16(28)11-5-4-6-12(8-11)18(19,20)21/h4-9H,3H2,1-2H3,(H,23,28)(H,22,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDGGMWXQJWEPOJ-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