General Information of the Compound
| Compound ID |
CP0373021
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chloro-5-(5-fluoro-4-(4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18ClF5N4O4S
|
||||||||||||||||||
| Molecular Weight |
576.931
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(c(F)s1)-c1ccc(F)c(OCC(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18ClF5N4O4S/c24-14-7-13(9-30-19(14)33-5-3-11(4-6-33)21(35)36)20(34)32-22-31-17(18(26)38-22)12-1-2-15(25)16(8-12)37-10-23(27,28)29/h1-2,7-9,11H,3-6,10H2,(H,35,36)(H,31,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDIGMKGQBFWVKX-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