General Information of the Compound
| Compound ID |
CP0866704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{4-[(1R)-2,2-Difluoro-1-hydroxyethyl]phenyl}-7-(4-fluorophenyl)-2-naphthoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H17F3O3
|
||||||||||||||||||
| Molecular Weight |
422.402
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(F)cc3)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H17F3O3/c26-20-8-5-14(6-9-20)17-7-10-21-18(11-17)12-19(25(30)31)13-22(21)15-1-3-16(4-2-15)23(29)24(27)28/h1-13,23-24,29H,(H,30,31)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMLFHHSWRXOXCX-HSZRJFAPSA-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