General Information of the Compound
| Compound ID |
CP0444753
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-(2,3-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C16H20Cl2N6O
|
||||||||||||||||||
| Molecular Weight |
383.283
|
||||||||||||||||||
| Canonical SMILES |
CC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20Cl2N6O/c1-10(25-12-5-3-4-11(17)13(12)18)14-20-15(19)22-16(21-14)24-8-6-23(2)7-9-24/h3-5,10H,6-9H2,1-2H3,(H2,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPJYOFKGSBZJSC-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 | |||||||||||||||||||
| 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
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor