General Information of the Compound
| Compound ID |
CP0495972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
aminothiazole, 22
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26F3N3O5S
|
||||||||||||||||||
| Molecular Weight |
597.615
|
||||||||||||||||||
| Canonical SMILES |
O[C@H](CNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)c2ccc3CCCc3c2)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26F3N3O5S/c31-30(32,33)41-24-12-9-20(10-13-24)25-17-42-29(35-25)36(23-11-8-19-2-1-3-22(19)14-23)16-18-4-6-21(7-5-18)27(38)34-15-26(37)28(39)40/h4-14,17,26,37H,1-3,15-16H2,(H,34,38)(H,39,40)/t26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPAUVSAWZVWRTJ-AREMUKBSSA-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