General Information of the Compound
| Compound ID |
CP0318495
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-2-[[5-[(4-butylphenyl)methoxy]-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H35F3O4
|
||||||||||||||||||
| Molecular Weight |
540.622
|
||||||||||||||||||
| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2ccc(CCCC)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H35F3O4/c1-3-5-7-23-9-11-24(12-10-23)21-38-29-17-18-30(27(20-29)19-26(31(36)37)8-6-4-2)39-22-25-13-15-28(16-14-25)32(33,34)35/h9-20H,3-8,21-22H2,1-2H3,(H,36,37)/b26-19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IUMONHZAPCDTCK-LGUFXXKBSA-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