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Summary Geometry Related PDB entries

5L0

Summary

Name:	1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
Formula:	C21 H20 N4 O2
Formal charge:	0
Formula weight:	360.409 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
OpenEye OEToolkits	1.9.2	1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-indolizin-3-yl)ethanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1COCCN1c2ccn3c(c2)c(cc3C(=O)C)c5n4ccnc4ccc5
InChI	InChI	1.03	InChI=1S/C21H20N4O2/c1-15(26)19-14-17(18-3-2-4-21-22-6-8-25(18)21)20-13-16(5-7-24(19)20)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3
InChIKey	InChI	1.03	LBUBPCSKFDKKFO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)c1cc(c2cccc3nccn23)c4cc(ccn14)N5CCOCC5
SMILES	CACTVS	3.385	CC(=O)c1cc(c2cccc3nccn23)c4cc(ccn14)N5CCOCC5
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5
SMILES	OpenEye OEToolkits	1.9.2	CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5

221716

数据于2024-06-26公开中

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