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Summary Geometry Related PDB entries

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Summary

Name:	6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
Formula:	C18 H23 F2 N3
Formal charge:	0
Formula weight:	319.392 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
OpenEye OEToolkits	2.0.7	6-[2-[5-[2-(dimethylamino)ethyl]-2,3-bis(fluoranyl)phenyl]ethyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1
InChI	InChI	1.06	InChI=1S/C18H23F2N3/c1-12-8-15(22-17(21)9-12)5-4-14-10-13(6-7-23(2)3)11-16(19)18(14)20/h8-11H,4-7H2,1-3H3,(H2,21,22)
InChIKey	InChI	1.06	MBWOXMLBCLMUMJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
SMILES	CACTVS	3.385	CN(C)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN(C)C

222415

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