General Information of the Compound
| Compound ID |
CP0474802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,6-dichloro-4-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)phenyl)piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17Cl2F4N3O3S
|
||||||||||||||||||
| Molecular Weight |
562.372
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCN(CC1)c1c(Cl)cc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17Cl2F4N3O3S/c24-15-8-12(9-16(25)19(15)32-6-4-11(5-7-32)21(34)35)20(33)31-22-30-17(10-36-22)13-2-1-3-14(18(13)26)23(27,28)29/h1-3,8-11H,4-7H2,(H,34,35)(H,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKHXXBFHTKQRMY-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