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Summary Geometry Related PDB entries

OZ8

Summary

Name:	4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one
Formula:	C20 H25 N3 O2
Formal charge:	0
Formula weight:	339.431 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H25N3O2/c24-20-15-18(22-9-11-25-12-10-22)14-19(21-20)23-8-4-7-17(23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m1/s1
InChIKey	InChI	1.03	NUUYFIBMHLLMSL-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[C@@H]3Cc4ccccc4
SMILES	CACTVS	3.385	O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4

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건을2024-07-17부터공개중

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