5SB

~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide

Created:	2015-11-20
Last modified:	2016-06-08

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1 entries where 5SB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	16

2D diagram of 5SB

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Chemical Component Summary
Name	~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
Formula	C₁₄ H₁₂ N₄ O
Molecular Weight	252.271
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13
SMILES	OpenEye OEToolkits	2.0.4	CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13
Canonical SMILES	OpenEye OEToolkits	2.0.4	CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3
InChI	InChI	1.03	InChI=1S/C14H12N4O/c1-9(19)18-13-5-4-11(10-7-16-17-8-10)12-3-2-6-15-14(12)13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey	InChI	1.03	QUBRUQFHLRIPBK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	39782527

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.