General Information of the Compound
| Compound ID |
CP0463137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F3NO4S
|
||||||||||||||||||
| Molecular Weight |
465.493
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)Cc1cc(-c2ccc(cc2)C(F)(F)F)n(c1C)-c1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F3NO4S/c1-4-31-22(28)14-17-13-21(16-5-7-18(8-6-16)23(24,25)26)27(15(17)2)19-9-11-20(12-10-19)32(3,29)30/h5-13H,4,14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MACPERMNSNWSPB-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