General Information of the Compound
| Compound ID |
CP0443415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
aminothiazole, 11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
579.644
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc3CCCCc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28F3N3O3S/c32-31(33,34)25-12-9-22(10-13-25)27-19-41-30(36-27)37(26-14-11-21-3-1-2-4-24(21)17-26)18-20-5-7-23(8-6-20)29(40)35-16-15-28(38)39/h5-14,17,19H,1-4,15-16,18H2,(H,35,40)(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGTLXOZGCVZYAN-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