General Information of the Compound
| Compound ID |
CP0039116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-(2-((4-(trifluoromethyl)phenoxy)methyl)benzyloxy)-1H-indol-1-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20F3NO4
|
||||||||||||||||||
| Molecular Weight |
455.432
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cn1ccc2cc(OCc3ccccc3COc3ccc(cc3)C(F)(F)F)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20F3NO4/c26-25(27,28)20-5-7-21(8-6-20)32-15-18-3-1-2-4-19(18)16-33-22-9-10-23-17(13-22)11-12-29(23)14-24(30)31/h1-13H,14-16H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAJRCQJLKBPIDO-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