General Information of the Compound
| Compound ID |
CP0397149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-phenethylpyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24N4O
|
||||||||||||||||||
| Molecular Weight |
312.417
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24N4O/c1-14-13-19-10-11-22(14)17-12-18(23)21(2)16(20-17)9-8-15-6-4-3-5-7-15/h3-7,12,14,19H,8-11,13H2,1-2H3/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMEUQGLLCWFUPL-CQSZACIVSA-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