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Summary Geometry Related PDB entries

XFM

Summary

Name:	6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine
Formula:	C21 H25 N5
Formal charge:	0
Formula weight:	347.457 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine
OpenEye OEToolkits	1.7.0	6-[2-[6-[2-(2-azanyl-6-methyl-pyridin-4-yl)ethyl]pyridin-2-yl]ethyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(cc(cc1N)CCc2nc(ccc2)CCc3nc(N)cc(c3)C)C
SMILES_CANONICAL	CACTVS	3.370	Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1
SMILES	CACTVS	3.370	Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C
InChI	InChI	1.03	InChI=1S/C21H25N5/c1-14-10-19(26-20(22)11-14)9-8-18-5-3-4-17(25-18)7-6-16-12-15(2)24-21(23)13-16/h3-5,10-13H,6-9H2,1-2H3,(H2,22,26)(H2,23,24)
InChIKey	InChI	1.03	ZMKGFXFDYMNDSP-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

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