General Information of the Compound
| Compound ID |
CP0504294
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chloro-5-(4-(3-(ethoxymethyl)-4-fluorophenyl)-5-fluorothiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23ClF2N4O4S
|
||||||||||||||||||
| Molecular Weight |
536.988
|
||||||||||||||||||
| Canonical SMILES |
CCOCc1cc(ccc1F)-c1nc(NC(=O)c2cnc(N3CCC(CC3)C(O)=O)c(Cl)c2)sc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClF2N4O4S/c1-2-35-12-16-9-14(3-4-18(16)26)19-20(27)36-24(29-19)30-22(32)15-10-17(25)21(28-11-15)31-7-5-13(6-8-31)23(33)34/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,33,34)(H,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAYZNMFRCGWSOM-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