General Information of the Compound
| Compound ID |
CP0089200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-2-[[2,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26F6O4
|
||||||||||||||||||
| Molecular Weight |
552.511
|
||||||||||||||||||
| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h5-16H,2-4,17-18H2,1H3,(H,36,37)/b21-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGYQXMLYIWZACL-RCCKNPSSSA-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