General Information of the Compound
| Compound ID |
CP0504295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-(4-(3-butyl-4-fluorophenyl)-5-fluorothiazol-2-ylcarbamoyl)-3-chloropyridin-2-yl)piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25ClF2N4O3S
|
||||||||||||||||||
| Molecular Weight |
535.016
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1cc(ccc1F)-c1nc(NC(=O)c2cnc(N3CCC(CC3)C(O)=O)c(Cl)c2)sc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25ClF2N4O3S/c1-2-3-4-15-11-16(5-6-19(15)27)20-21(28)36-25(30-20)31-23(33)17-12-18(26)22(29-13-17)32-9-7-14(8-10-32)24(34)35/h5-6,11-14H,2-4,7-10H2,1H3,(H,34,35)(H,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJRYUICTQJZWSQ-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