General Information of the Compound
| Compound ID |
CP0506512
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chloro-5-(5-fluoro-4-(4-fluoro-3-isobutylphenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25ClF2N4O3S
|
||||||||||||||||||
| Molecular Weight |
535.016
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cc1cc(ccc1F)-c1nc(NC(=O)c2cnc(N3CCC(CC3)C(O)=O)c(Cl)c2)sc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25ClF2N4O3S/c1-13(2)9-16-10-15(3-4-19(16)27)20-21(28)36-25(30-20)31-23(33)17-11-18(26)22(29-12-17)32-7-5-14(6-8-32)24(34)35/h3-4,10-14H,5-9H2,1-2H3,(H,34,35)(H,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIQYWRPWWYQMLX-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