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Summary Geometry Related PDB entries

QS5

Summary

Name:	N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide
Formula:	C26 H28 N2 O5
Formal charge:	0
Formula weight:	448.511 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	1.7.6	N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methyl-furan-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKey	InChI	1.03	UKLWMTAVXDIMIA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4oc(C)cc4)cc3
SMILES	CACTVS	3.385	COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4oc(C)cc4)cc3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC

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PDB entries from 2025-07-09

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