General Information of the Compound
| Compound ID |
CP0570982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpyrazol-3-yl]methyl]-4-fluorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14F4N4O
|
||||||||||||||||||
| Molecular Weight |
402.351
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn(nc1CNC(=O)c1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14F4N4O/c1-12-11-28(16-7-4-14(9-25)17(8-16)20(22,23)24)27-18(12)10-26-19(29)13-2-5-15(21)6-3-13/h2-8,11H,10H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPTNGCABTNBXQS-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