2UX

(2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol

Created:	2014-02-13
Last modified:	2014-07-30

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1 entries where 2UX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	18

2D diagram of 2UX

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Chemical Component Summary
Name	(2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol
Systematic Name (OpenEye OEToolkits)	(2S)-2-[4-[4-(6-azanylpyridin-3-yl)sulfonylphenyl]phenyl]-1,1,1-tris(fluoranyl)propan-2-ol
Formula	C₂₀ H₁₇ F₃ N₂ O₃ S
Molecular Weight	422.421
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c1cnc(N)cc1)c3ccc(c2ccc(cc2)C(O)(C)C(F)(F)F)cc3
SMILES	CACTVS	3.385	C[C](O)(c1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccc(N)nc3)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.6	CC(c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O
Canonical SMILES	CACTVS	3.385	C[C@](O)(c1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccc(N)nc3)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O
InChI	InChI	1.03	InChI=1S/C20H17F3N2O3S/c1-19(26,20(21,22)23)15-6-2-13(3-7-15)14-4-8-16(9-5-14)29(27,28)17-10-11-18(24)25-12-17/h2-12,26H,1H3,(H2,24,25)/t19-/m0/s1
InChIKey	InChI	1.03	XOWBHNIRCZERRH-IBGZPJMESA-N

Related Resource References

Resource Name	Reference
PubChem	66582902

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