General Information of the Compound
| Compound ID |
CP0238025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-isoquinoline-4,7-dicarbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H10ClN3OS
|
||||||||||||||||||
| Molecular Weight |
351.818
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2ccc(cc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H10ClN3OS/c19-16-4-2-1-3-12(16)10-24-18-14-7-11(8-20)5-6-13(14)15(9-21)17(23)22-18/h1-7H,10H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAFCYOKWJJQJKE-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