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Summary Geometry Related PDB entries

5V8

Summary

Name:	2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
Formula:	C22 H24 N2 O4
Formal charge:	0
Formula weight:	380.437 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.4	2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)
InChIKey	InChI	1.03	PQGCMFVNJWTUFH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)c4ccc(O)cc4
SMILES	CACTVS	3.385	CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)c4ccc(O)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O
SMILES	OpenEye OEToolkits	2.0.4	CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O

222415

건을2024-07-10부터공개중

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