General Information of the Compound
| Compound ID |
CP0542994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-[5-(4-phenylpiperazin-1-yl)pentyl]-1,3,5-triazine-2,4,6-triamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H28N8
|
||||||||||||||||||
| Molecular Weight |
356.478
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(N)nc(NCCCCCN2CCN(CC2)c2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H28N8/c19-16-22-17(20)24-18(23-16)21-9-5-2-6-10-25-11-13-26(14-12-25)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H5,19,20,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEYHRGCVTQARPC-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 | |||||||||||||||||||
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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor