General Information of the Compound
| Compound ID |
CP0152328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[2-chloro-5-[[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H19ClF3N3O6
|
||||||||||||||||||
| Molecular Weight |
561.9
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWBHUSIDRJJGGU-CYBMUJFWSA-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