General Information of the Compound
| Compound ID |
CP0476663
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-methoxyethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22F3N3O2S
|
||||||||||||||||||
| Molecular Weight |
473.52
|
||||||||||||||||||
| Canonical SMILES |
COCCNC(=O)c1cn(nc1C)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F3N3O2S/c1-15-20(23(31)28-9-10-32-2)14-30(29-15)21-8-4-6-17-13-19(33-22(17)21)12-16-5-3-7-18(11-16)24(25,26)27/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWFKWZFBEAVCFP-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