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Summary Geometry Related PDB entries

Y59

Summary

Name:	7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one
Formula:	C22 H24 N7 O
Formal charge:	0
Formula weight:	402.472 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H24N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3,(H,25,30)
InChIKey	InChI	1.06	WUBACWPUEMOWBL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5
SMILES	CACTVS	3.385	Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(nn2c1nc(c2)C)C3=CC(=O)[N]4=C(N3)C=CC(=C4)N5CCNC6(C5)CC6
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nn2c1nc(c2)C)C3=CC(=O)[N]4=C(N3)C=CC(=C4)N5CCNC6(C5)CC6

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