General Information of the Compound
| Compound ID |
CP0531322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(E)-2-(4-chlorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19ClN6
|
||||||||||||||||||
| Molecular Weight |
330.823
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(Cl)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19ClN6/c1-22-8-10-23(11-9-22)16-20-14(19-15(18)21-16)7-4-12-2-5-13(17)6-3-12/h2-7H,8-11H2,1H3,(H2,18,19,20,21)/b7-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DCCFDDHWGZSNCV-QPJJXVBHSA-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