General Information of the Compound
| Compound ID |
CP0457698
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-fluoro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17F5N4O3S
|
||||||||||||||||||
| Molecular Weight |
512.46
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ncc(cc1F)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17F5N4O3S/c23-15-8-12(9-28-18(15)31-6-4-11(5-7-31)20(33)34)19(32)30-21-29-16(10-35-21)13-2-1-3-14(17(13)24)22(25,26)27/h1-3,8-11H,4-7H2,(H,33,34)(H,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXVBMVIADPEONX-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