General Information of the Compound
| Compound ID |
CP0044013
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((6-isopropoxypyridin-3-ylsulfonyl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N2O3S
|
||||||||||||||||||
| Molecular Weight |
360.479
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cn1)S(=O)(=O)Cc1ccc2CCNCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N2O3S/c1-14(2)24-19-6-5-18(12-21-19)25(22,23)13-15-3-4-16-7-9-20-10-8-17(16)11-15/h3-6,11-12,14,20H,7-10,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMTKUMNAVZOJQX-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