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Summary Geometry Related PDB entries

A1EMB

Summary

Name:	4-[[2-(6-fluoranyl-2-methyl-pyridin-3-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyridin-4-yl]methyl]-1-methyl-imidazol-2-amine
Formula:	C20 H19 F N6 S
Formal charge:	0
Formula weight:	394.468 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[[2-(6-fluoranyl-2-methyl-pyridin-3-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyridin-4-yl]methyl]-1-methyl-imidazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H19FN6S/c1-11-9-23-19(28-11)17-8-13(6-14-10-27(3)20(22)25-14)7-16(26-17)15-4-5-18(21)24-12(15)2/h4-5,7-10H,6H2,1-3H3,(H2,22,25)
InChIKey	InChI	1.06	FPUJAZWIWOBLCF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(Cc2cc(nc(c2)c3ccc(F)nc3C)c4sc(C)cn4)nc1N
SMILES	CACTVS	3.385	Cn1cc(Cc2cc(nc(c2)c3ccc(F)nc3C)c4sc(C)cn4)nc1N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cnc(s1)c2cc(cc(n2)c3ccc(nc3C)F)Cc4cn(c(n4)N)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cnc(s1)c2cc(cc(n2)c3ccc(nc3C)F)Cc4cn(c(n4)N)C

250835

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