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Summary Geometry Related PDB entries

BQR

Summary

Name:	N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide
Formula:	C19 H20 N4 O3
Formal charge:	0
Formula weight:	352.387 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide
OpenEye OEToolkits	1.9.2	2-[[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]amino]-N-methyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c3nc2cc(c1cc(c(OC)cc1)OC)ccc2nc3)CC(=O)NC
InChI	InChI	1.03	InChI=1S/C19H20N4O3/c1-20-19(24)11-22-18-10-21-14-6-4-12(8-15(14)23-18)13-5-7-16(25-2)17(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,24)(H,22,23)
InChIKey	InChI	1.03	LYPCULYCGFOIDA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(OC)c(OC)c3
SMILES	CACTVS	3.385	CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(OC)c(OC)c3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC
SMILES	OpenEye OEToolkits	1.9.2	CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC

222415

건을2024-07-10부터공개중

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