WQJ

7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

Created:	2020-11-04
Last modified:	2021-01-13

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2 entries where WQJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of WQJ

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Chemical Component Summary
Name	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
Systematic Name (OpenEye OEToolkits)	7,8-dihydro-5~{H}-pyrano[4,3-b]pyridin-3-amine
Formula	C₈ H₁₀ N₂ O
Molecular Weight	150.178
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc2cnc1CCOCc1c2
SMILES	CACTVS	3.385	Nc1cnc2CCOCc2c1
SMILES	OpenEye OEToolkits	2.0.7	c1c(cnc2c1COCC2)N
Canonical SMILES	CACTVS	3.385	Nc1cnc2CCOCc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(cnc2c1COCC2)N
InChI	InChI	1.03	InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2
InChIKey	InChI	1.03	MDASSZXVCIBITR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10796917

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.