General Information of the Compound
| Compound ID |
CP0225946
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[[6-(4-chlorophenyl)pyridin-3-yl]sulfonylmethyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClN2O2S
|
||||||||||||||||||
| Molecular Weight |
412.942
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(cn1)S(=O)(=O)Cc1ccc2CCNCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClN2O2S/c23-20-5-3-18(4-6-20)22-8-7-21(14-25-22)28(26,27)15-16-1-2-17-9-11-24-12-10-19(17)13-16/h1-8,13-14,24H,9-12,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVCJMLBYBBJSCR-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