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Summary Geometry Related PDB entries

A1IKD

Summary

Name:	N',N'-dimethyl-N-(6-naphthalen-1-yl-5-pyridin-4-yl-pyridazin-3-yl)ethane-1,2-diamine
Synonyms:	N1,N1-dimethyl-N2-(6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-yl)ethane-1,2-diamine
Formula:	C23 H23 N5
Formal charge:	0
Formula weight:	369.462 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}',~{N}'-dimethyl-~{N}-(6-naphthalen-1-yl-5-pyridin-4-yl-pyridazin-3-yl)ethane-1,2-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H23N5/c1-28(2)15-14-25-22-16-21(18-10-12-24-13-11-18)23(27-26-22)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,16H,14-15H2,1-2H3,(H,25,26)
InChIKey	InChI	1.06	UMAGLYLWSTVWQA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)CCNc1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
SMILES	CACTVS	3.385	CN(C)CCNc1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)CCNc1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNc1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4

250059

PDB entries from 2026-03-04

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