General Information of the Compound
| Compound ID |
CP0542766
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,3,5-triazine-2,4,6-triamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N9
|
||||||||||||||||||
| Molecular Weight |
485.64
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(NCCCCN2CCN(CC2)c2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N9/c28-25-32-26(34-27(33-25)30-14-12-21-20-31-24-11-5-4-10-23(21)24)29-13-6-7-15-35-16-18-36(19-17-35)22-8-2-1-3-9-22/h1-5,8-11,20,31H,6-7,12-19H2,(H4,28,29,30,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIFFFWPXBIDEFZ-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