5SG

isoquinolin-5-ol

Created:	2015-11-21
Last modified:	2016-06-08

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1 entries where 5SG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	11

2D diagram of 5SG

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Chemical Component Summary
Name	isoquinolin-5-ol
Systematic Name (OpenEye OEToolkits)	isoquinolin-5-ol
Formula	C₉ H₇ N O
Molecular Weight	145.158
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cccc2cnccc12
SMILES	OpenEye OEToolkits	2.0.4	c1cc2cnccc2c(c1)O
Canonical SMILES	CACTVS	3.385	Oc1cccc2cnccc12
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc2cnccc2c(c1)O
InChI	InChI	1.03	InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
InChIKey	InChI	1.03	CSNXUYRHPXGSJD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	30386
ChEMBL	CHEMBL57481
CCDC/CSD	GIXXUJ

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.