General Information of the Compound
| Compound ID |
CP0416556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27F3N2O4
|
||||||||||||||||||
| Molecular Weight |
512.528
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCCOc1ccccc1Cn1c(ncc1C(F)(F)F)-c1ccc(cc1)-c1ccco1)CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27F3N2O4/c1-19(16-26(34)35)6-4-14-37-24-8-3-2-7-22(24)18-33-25(28(29,30)31)17-32-27(33)21-12-10-20(11-13-21)23-9-5-15-36-23/h2-3,5,7-13,15,17,19H,4,6,14,16,18H2,1H3,(H,34,35)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWYPNDAAFAAPKM-LJQANCHMSA-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