General Information of the Compound
| Compound ID |
CP0516528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-benzyl-5-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H24ClF3N2O4S
|
||||||||||||||||||
| Molecular Weight |
601.046
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(sc1CCOc1ccc2n(Cc3ccccc3)cc(c2c1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H24ClF3N2O4S/c1-18-26(41-27(35-18)20-7-9-21(31)10-8-20)13-14-40-22-11-12-25-23(15-22)24(29(39,28(37)38)30(32,33)34)17-36(25)16-19-5-3-2-4-6-19/h2-12,15,17,39H,13-14,16H2,1H3,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBOGIGWGXQVSPC-UHFFFAOYSA-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