General Information of the Compound
| Compound ID |
CP0772446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-benzyl-4-(4-(pyridin-2-yl)piperazine-1-carbonyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N7O2
|
||||||||||||||||||
| Molecular Weight |
455.522
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2Cc2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N7O2/c1-18-15-23(33)29-25(28-18)32-21(16-19-7-3-2-4-8-19)20(17-27-32)24(34)31-13-11-30(12-14-31)22-9-5-6-10-26-22/h2-10,15,17H,11-14,16H2,1H3,(H,28,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCESFLDXEPNXOO-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