General Information of the Compound
| Compound ID |
CP0397150
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-chlorophenethyl)-3-ethyl-6-(piperazin-1-yl)pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23ClN4O
|
||||||||||||||||||
| Molecular Weight |
346.862
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(CCc2ccccc2Cl)nc(cc1=O)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23ClN4O/c1-2-23-16(8-7-14-5-3-4-6-15(14)19)21-17(13-18(23)24)22-11-9-20-10-12-22/h3-6,13,20H,2,7-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMNOOVPUIRPJCT-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