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Summary Geometry Related PDB entries

6RC

Summary

Name:	4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
Formula:	C26 H27 N7 O3
Formal charge:	0
Formula weight:	485.538 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.5	4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C26H27N7O3/c1-34-11-10-32-16-20(14-28-32)23-15-27-25(31-8-12-35-13-9-31)26-29-21(17-33(23)26)18-36-24-7-6-19-4-2-3-5-22(19)30-24/h2-7,14-17H,8-13,18H2,1H3
InChIKey	InChI	1.03	FTYUTNBYQHNWNV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24
SMILES	CACTVS	3.385	COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6
SMILES	OpenEye OEToolkits	2.0.5	COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6

222624

数据于2024-07-17公开中

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