General Information of the Compound
| Compound ID |
CP0489368
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-butyl-N-[(3,5-dimethylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N7OS
|
||||||||||||||||||
| Molecular Weight |
449.584
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1c(C)ncn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N7OS/c1-5-6-8-18-17(22(31)24-13-19-16(3)26-14-29(19)4)12-27-30(18)23-25-11-15(2)21(28-23)20-9-7-10-32-20/h7,9-12,14H,5-6,8,13H2,1-4H3,(H,24,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKTLLGASRZHYJD-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