General Information of the Compound
| Compound ID |
CP0093367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-3-oxo-2H-isoquinoline-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H10ClFN2OS
|
||||||||||||||||||
| Molecular Weight |
344.798
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc2c(SCc3ccccc3Cl)[nH]c(=O)c(C#N)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H10ClFN2OS/c18-13-6-2-1-4-10(13)9-23-17-11-5-3-7-14(19)15(11)12(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZQXVIQWSCXTBS-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