General Information of the Compound
| Compound ID |
CP0485223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
aminothiazole, 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H39N3O3S
|
||||||||||||||||||
| Molecular Weight |
593.793
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1csc(n1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(cc1)C1=CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H39N3O3S/c1-36(2,3)30-17-13-28(14-18-30)32-24-43-35(38-32)39(31-19-15-27(16-20-31)26-7-5-4-6-8-26)23-25-9-11-29(12-10-25)34(42)37-22-21-33(40)41/h7,9-20,24H,4-6,8,21-23H2,1-3H3,(H,37,42)(H,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPHHXNCBGPKNOY-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