General Information of the Compound
| Compound ID |
CP0374456
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
thiazole, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22ClF3N2O3S
|
||||||||||||||||||
| Molecular Weight |
559.009
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CC(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(Cl)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22ClF3N2O3S/c29-22-11-7-18(8-12-22)23(15-17-1-3-20(4-2-17)26(37)33-14-13-25(35)36)27-34-24(16-38-27)19-5-9-21(10-6-19)28(30,31)32/h1-12,16,23H,13-15H2,(H,33,37)(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYFXPJIUHYQWRX-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
Protein ID: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor