General Information of the Compound
| Compound ID |
CP0877365
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-{[2-Methyl-5-(trifluoromethyl)benzyl]oxy}-4-(3-thienyl)-2-naphthoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17F3O3S
|
||||||||||||||||||
| Molecular Weight |
442.458
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(F)(F)F)cc1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17F3O3S/c1-14-2-3-19(24(25,26)27)9-18(14)12-30-20-4-5-21-16(10-20)8-17(23(28)29)11-22(21)15-6-7-31-13-15/h2-11,13H,12H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQFDADWRMUMNCU-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