General Information of the Compound
| Compound ID |
CP0405628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzyl-8-methyl-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19NO2
|
||||||||||||||||||
| Molecular Weight |
305.377
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19NO2/c1-14-7-8-17-16-9-10-21(12-15-5-3-2-4-6-15)13-18(16)20(22)23-19(17)11-14/h2-8,11H,9-10,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYTBEUORVGHEBI-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor