General Information of the Compound
| Compound ID |
CP0569872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-fluoropyridin-3-yl)pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H9F4N5O
|
||||||||||||||||||
| Molecular Weight |
375.285
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)c2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H9F4N5O/c18-15-4-2-11(9-23-15)24-16(27)14-5-6-26(25-14)12-3-1-10(8-22)13(7-12)17(19,20)21/h1-7,9H,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXDVDEAOMDEJTF-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