WLX

isoquinolin-3-amine

Created:	2023-05-15
Last modified:	2023-06-14

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2 entries where WLX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	11

2D diagram of WLX

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Chemical Component Summary
Name	isoquinolin-3-amine
Systematic Name (OpenEye OEToolkits)	isoquinolin-3-amine
Formula	C₉ H₈ N₂
Molecular Weight	144.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1cc2ccccc2cn1
SMILES	CACTVS	3.385	Nc1cc2ccccc2cn1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cnc(cc2c1)N
Canonical SMILES	CACTVS	3.385	Nc1cc2ccccc2cn1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cnc(cc2c1)N
InChI	InChI	1.06	InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
InChIKey	InChI	1.06	VYCKDIRCVDCQAE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	311869
ChEMBL	CHEMBL61743

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.