32X

5-aminoisoquinolin-1(4H)-one

Created:	2014-06-02
Last modified:	2014-10-15

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2 entries where 32X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of 32X

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Chemical Component Summary
Name	5-aminoisoquinolin-1(4H)-one
Systematic Name (OpenEye OEToolkits)	5-azanyl-4H-isoquinolin-1-one
Formula	C₉ H₈ N₂ O
Molecular Weight	160.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N=CCc1c2cccc1N
SMILES	CACTVS	3.385	Nc1cccc2C(=O)N=CCc12
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(c(c1)N)CC=NC2=O
Canonical SMILES	CACTVS	3.385	Nc1cccc2C(=O)N=CCc12
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(c(c1)N)CC=NC2=O
InChI	InChI	1.03	InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3,5H,4,10H2
InChIKey	InChI	1.03	UMWAQUVIYVQOLI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11557468

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.