General Information of the Compound
| Compound ID |
CP0192277
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-((2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)methylsulfonyl)pyridin-2-yl)morpholine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N3O3S
|
||||||||||||||||||
| Molecular Weight |
387.505
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(Cc1ccc2CCNCCc2c1)c1ccc(nc1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N3O3S/c24-27(25,15-16-1-2-17-5-7-21-8-6-18(17)13-16)19-3-4-20(22-14-19)23-9-11-26-12-10-23/h1-4,13-14,21H,5-12,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHFOAJJQKIXOJU-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