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Summary Geometry Related PDB entries

GV8

Summary

Name:	8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
Formula:	C23 H18 N4 O3 S
Formal charge:	0
Formula weight:	430.479 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H18N4O3S/c1-14-13-30-21-4-3-15(9-17(14)21)18-10-16(11-19-23(18)26-8-7-25-19)27-20-12-24-6-5-22(20)31(2,28)29/h3-13,27H,1-2H3
InChIKey	InChI	1.03	OTFZEDIHBPYVKA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1coc2ccc(cc12)c3cc(Nc4cnccc4[S](C)(=O)=O)cc5nccnc35
SMILES	CACTVS	3.385	Cc1coc2ccc(cc12)c3cc(Nc4cnccc4[S](C)(=O)=O)cc5nccnc35
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C

222415

數據於2024-07-10公開中

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