General Information of the Compound
| Compound ID |
CP0544199
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-[2-(2,3-dichloroanilino)ethyl]-4-N-[2-(1H-indol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22Cl2N8
|
||||||||||||||||||
| Molecular Weight |
457.369
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(NCCNc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22Cl2N8/c22-15-5-3-7-17(18(15)23)25-10-11-27-21-30-19(24)29-20(31-21)26-9-8-13-12-28-16-6-2-1-4-14(13)16/h1-7,12,25,28H,8-11H2,(H4,24,26,27,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZXAKUVFURTEQJ-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