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Summary Geometry Related PDB entries

A1I6F

Summary

Name:	~{N}-[3-fluoranyl-5-(5-methyl-4-piperidin-1-ylcarbonyl-furan-2-yl)phenyl]-4,4-dimethyl-piperidine-1-carboximidamide
Formula:	C25 H33 F N4 O2
Formal charge:	0
Formula weight:	440.554 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[3-fluoranyl-5-(5-methyl-4-piperidin-1-ylcarbonyl-furan-2-yl)phenyl]-4,4-dimethyl-piperidine-1-carboximidamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H33FN4O2/c1-17-21(23(31)29-9-5-4-6-10-29)16-22(32-17)18-13-19(26)15-20(14-18)28-24(27)30-11-7-25(2,3)8-12-30/h13-16H,4-12H2,1-3H3,(H2,27,28)
InChIKey	InChI	1.06	SAKYCLOJOJKCIC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1oc(cc1C(=O)N2CCCCC2)c3cc(F)cc(NC(=N)N4CCC(C)(C)CC4)c3
SMILES	CACTVS	3.385	Cc1oc(cc1C(=O)N2CCCCC2)c3cc(F)cc(NC(=N)N4CCC(C)(C)CC4)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[H]/N=C(\Nc1cc(cc(c1)F)c2cc(c(o2)C)C(=O)N3CCCCC3)/N4CCC(CC4)(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc(o1)c2cc(cc(c2)F)NC(=N)N3CCC(CC3)(C)C)C(=O)N4CCCCC4

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