G18

4H-thieno[2,3-c]isoquinolin-5-one

Created:	2012-05-29
Last modified:	2014-09-05

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3 entries where G18 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	11

2D diagram of G18

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Chemical Component Summary
Name	4H-thieno[2,3-c]isoquinolin-5-one
Systematic Name (OpenEye OEToolkits)	4H-thieno[2,3-c]isoquinolin-5-one
Formula	C₁₁ H₇ N O S
Molecular Weight	201.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c3c(c1c(scc1)N2)cccc3
SMILES	CACTVS	3.385	O=C1Nc2sccc2c3ccccc13
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)-c3ccsc3NC2=O
Canonical SMILES	CACTVS	3.385	O=C1Nc2sccc2c3ccccc13
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)-c3ccsc3NC2=O
InChI	InChI	1.03	InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13)
InChIKey	InChI	1.03	LQJVOLSLAFIXSV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3108871
PubChem	9899130
ChEMBL	CHEMBL3108871

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.