General Information of the Compound
| Compound ID |
CP0503968
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181219, 2-{[2-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]sulfanyl}pyridine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N3OS
|
||||||||||||||||||
| Molecular Weight |
323.421
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc2CCCN(C(=O)CSc3cc(ccn3)C#N)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N3OS/c1-13-4-2-5-15-6-3-9-21(18(13)15)17(22)12-23-16-10-14(11-19)7-8-20-16/h2,4-5,7-8,10H,3,6,9,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJKDMFFWGYMYLZ-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