SGW

3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one

Created:	2014-08-08
Last modified:	2015-07-29

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1 entries where SGW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of SGW

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Chemical Component Summary
Name	3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one
Systematic Name (OpenEye OEToolkits)	3-(4-chlorophenyl)-5-methoxy-2H-isoquinolin-1-one
Formula	C₁₆ H₁₂ Cl N O₂
Molecular Weight	285.725
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3ccc(C2=Cc1c(cccc1OC)C(=O)N2)cc3
SMILES	CACTVS	3.385	COc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3
SMILES	OpenEye OEToolkits	1.7.6	COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl
Canonical SMILES	CACTVS	3.385	COc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl
InChI	InChI	1.03	InChI=1S/C16H12ClNO2/c1-20-15-4-2-3-12-13(15)9-14(18-16(12)19)10-5-7-11(17)8-6-10/h2-9H,1H3,(H,18,19)
InChIKey	InChI	1.03	HOGRHKSROKQSOE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76284557

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.