General Information of the Compound
| Compound ID |
CP0567415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-5-prop-2-enylpyrazole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N5O2S
|
||||||||||||||||||
| Molecular Weight |
423.542
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(NC(=O)C(C)(C)C)sc1-c1cc(CC=C)n(n1)C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N5O2S/c1-6-10-16-13-17(26-27(16)21(29)24-15-11-8-7-9-12-15)18-14(2)23-20(30-18)25-19(28)22(3,4)5/h6-9,11-13H,1,10H2,2-5H3,(H,24,29)(H,23,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQRLFLLLWQECLD-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