General Information of the Compound
| Compound ID |
CP0497131
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N5O3S
|
||||||||||||||||||
| Molecular Weight |
453.568
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)c2cc(-c3sc(NC(=O)C(C)(C)C)nc3C)n(CC=C)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N5O3S/c1-7-12-28-18(19-14(2)24-22(32-19)26-21(30)23(3,4)5)13-17(27-28)20(29)25-15-8-10-16(31-6)11-9-15/h7-11,13H,1,12H2,2-6H3,(H,25,29)(H,24,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UEPZOQFLWJNJDL-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