General Information of the Compound
| Compound ID |
CP0193419
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)-N-methylnicotinamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
5T4TX6CO53
6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy)-N-methyl-3-pyridinecarboxamide
6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
720690-73-3
854485-15-7
ABP000814
AKOS032944981
AOB87474
BCP9000737
BDBM50247054
CHEMBL517140
CS-6206
EX-A1905
GSK 189254A
GSK-189,254
GSK-189254
GSK-189254A
GSK189254
GSK189254A
HY-14111
KB-77605
SCHEMBL169579
UNII-5T4TX6CO53
WROHEWWOCPRMIA-UHFFFAOYSA-N
ZINC3961799
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O2
|
||||||||||||||||||
| Molecular Weight |
351.45
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WROHEWWOCPRMIA-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
720690-73-3
|
||||||||||||||||||
| 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: PT01194, Histamine H3 receptor
Cell-based Assay
Protein ID: PT01173, Histamine H3 receptor
Clinical Information about the Compound