General Information of the Compound
| Compound ID |
CP0422960
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18Cl2N6
|
||||||||||||||||||
| Molecular Weight |
365.268
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(Cl)c(Cl)c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18Cl2N6/c1-23-6-8-24(9-7-23)16-21-14(20-15(19)22-16)5-3-11-2-4-12(17)13(18)10-11/h2-5,10H,6-9H2,1H3,(H2,19,20,21,22)/b5-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUVPEOVYGWGHPX-HWKANZROSA-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