General Information of the Compound
| Compound ID |
CP0518580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-phenyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F6NS
|
||||||||||||||||||
| Molecular Weight |
439.424
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)CC(c1cccs1)c1c([nH]c2cc(ccc12)C(F)(F)F)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F6NS/c23-21(24,25)12-16(18-7-4-10-30-18)19-15-9-8-14(22(26,27)28)11-17(15)29-20(19)13-5-2-1-3-6-13/h1-11,16,29H,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQZZYPJQFWQMQQ-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