General Information of the Compound
| Compound ID |
CP0497388
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4-Chlorobenzyl)sulfanyl]-4-(3-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17ClN2S2
|
||||||||||||||||||
| Molecular Weight |
396.968
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CSc2nc3CCCCc3c(-c3ccsc3)c2C#N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17ClN2S2/c22-16-7-5-14(6-8-16)12-26-21-18(11-23)20(15-9-10-25-13-15)17-3-1-2-4-19(17)24-21/h5-10,13H,1-4,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJXUMPBBWFZYQU-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