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Summary Geometry Related PDB entries

E8V

Summary

Name:	4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
Formula:	C17 H10 F4 N2 O2
Formal charge:	0
Formula weight:	350.267 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
OpenEye OEToolkits	2.0.6	4-[6-azanyl-5-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]pyridin-3-yl]-2,6-bis(fluoranyl)phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cnc(N)c(c1)c2cc(c(c(c2)F)O)F)c3cc(c(c(c3)F)O)F
InChI	InChI	1.03	InChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23)
InChIKey	InChI	1.03	FFWVPGLOKRROCI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ncc(cc1c2cc(F)c(O)c(F)c2)c3cc(F)c(O)c(F)c3
SMILES	CACTVS	3.385	Nc1ncc(cc1c2cc(F)c(O)c(F)c2)c3cc(F)c(O)c(F)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F
SMILES	OpenEye OEToolkits	2.0.6	c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F

226707

數據於2024-10-30公開中

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