General Information of the Compound
| Compound ID |
CP0525624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(cyclobutylamino)-5-methylpyrimidin-2-yl]-5-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N8O2
|
||||||||||||||||||
| Molecular Weight |
424.509
|
||||||||||||||||||
| Canonical SMILES |
CCOCc1c(cnn1-c1ncc(C)c(NC2CCC2)n1)C(=O)NCc1cncn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N8O2/c1-4-31-12-18-17(20(30)23-10-16-9-22-13-28(16)3)11-25-29(18)21-24-8-14(2)19(27-21)26-15-6-5-7-15/h8-9,11,13,15H,4-7,10,12H2,1-3H3,(H,23,30)(H,24,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZMBJRZWHLAVEA-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