0WA

4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol

Created:	2012-07-22
Last modified:	2012-07-22

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1 entries where 0WA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	17

2D diagram of 0WA

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Chemical Component Summary
Name	4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol
Systematic Name (OpenEye OEToolkits)	4-fluoranyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol
Formula	C₁₄ H₁₀ F N₃ O S
Molecular Weight	287.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(c(O)cc1)Nc2nc(cs2)c3ccncc3
SMILES	CACTVS	3.370	Oc1ccc(F)cc1Nc2scc(n2)c3ccncc3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O
Canonical SMILES	CACTVS	3.370	Oc1ccc(F)cc1Nc2scc(n2)c3ccncc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O
InChI	InChI	1.03	InChI=1S/C14H10FN3OS/c15-10-1-2-13(19)11(7-10)17-14-18-12(8-20-14)9-3-5-16-6-4-9/h1-8,19H,(H,17,18)
InChIKey	InChI	1.03	RMWZRYBJQMKPMA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	57519743

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.