VBW

6-fluoranyl-2-methyl-quinolin-4-ol

Created:	2021-05-05
Last modified:	2022-11-02

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1 entries where VBW 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	11

2D diagram of VBW

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Chemical Component Summary
Name	6-fluoranyl-2-methyl-quinolin-4-ol
Systematic Name (OpenEye OEToolkits)	6-fluoranyl-2-methyl-quinolin-4-ol
Formula	C₁₀ H₈ F N O
Molecular Weight	177.175
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(O)c2cc(F)ccc2n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2cc(ccc2n1)F)O
Canonical SMILES	CACTVS	3.385	Cc1cc(O)c2cc(F)ccc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2cc(ccc2n1)F)O
InChI	InChI	1.03	InChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
InChIKey	InChI	1.03	BKXCHVFCJZJATJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	85184

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.