General Information of the Compound
| Compound ID |
CP0531632
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-methoxy-6-methyl-1-prop-2-ynoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N2O3
|
||||||||||||||||||
| Molecular Weight |
404.51
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OCC#C)c(-c2c1)c34
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N2O3/c1-5-7-22(28)26-18-9-8-16-13-20-23-17(10-11-27(20)3)14-21(29-4)25(30-12-6-2)24(23)19(16)15-18/h2,8-9,14-15,20H,5,7,10-13H2,1,3-4H3,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUGBLRYISYKONW-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7