General Information of the Compound
| Compound ID |
CP0524411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(dimethylamino)phenyl]methyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N7O
|
||||||||||||||||||
| Molecular Weight |
419.533
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N7O/c1-28(2)19-8-6-18(7-9-19)16-26-22(31)15-20-5-3-4-13-30(20)21-10-11-25-23(27-21)29-14-12-24-17-29/h6-12,14,17,20H,3-5,13,15-16H2,1-2H3,(H,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCCURRRMYPISPD-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