General Information of the Compound
| Compound ID |
CP0524747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-5-(2-(pyridin-2-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N4
|
||||||||||||||||||
| Molecular Weight |
316.408
|
||||||||||||||||||
| Canonical SMILES |
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccccn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N4/c1-23-10-8-20-18(14-23)17-12-15(13-21)5-6-19(17)24(20)11-7-16-4-2-3-9-22-16/h2-6,9,12H,7-8,10-11,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRIQXMPDJZLBBB-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 | |||||||||||||||||||
| 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: PT01206, Histamine H1 receptor