General Information of the Compound
| Compound ID |
CP0459096
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[2-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14F3NO3
|
||||||||||||||||||
| Molecular Weight |
349.308
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccccc1OC(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14F3NO3/c19-18(20,21)25-16-4-2-1-3-13(16)15-10-12-9-11(6-8-17(23)24)5-7-14(12)22-15/h1-5,7,9-10,22H,6,8H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXMSHDNTXPDQOO-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