General Information of the Compound
| Compound ID |
CP0418985
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H25N5O2
|
||||||||||||||||||
| Molecular Weight |
343.431
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25N5O2/c1-20-17(24)15-19-23(18(20)25)10-6-5-9-21-11-13-22(14-12-21)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIUFXZSHAGEVLS-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