General Information of the Compound
| Compound ID |
CP0193007
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-2-(5-Fluoro-1-(4-(trifluoromethyl)benzylidene)-1H-inden-3-yl)ethanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H12F4O2
|
||||||||||||||||||
| Molecular Weight |
348.295
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC1=C\C(=C/c2ccc(cc2)C(F)(F)F)c2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H12F4O2/c20-15-5-6-16-12(8-13(9-18(24)25)17(16)10-15)7-11-1-3-14(4-2-11)19(21,22)23/h1-8,10H,9H2,(H,24,25)/b12-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQPNVCUGHYUOEK-KPKJPENVSA-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