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Summary Geometry Related PDB entries

QG5

Summary

Name:	(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:	C18 H15 N5 O2
Formal charge:	0
Formula weight:	333.344 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
OpenEye OEToolkits	2.0.7	2-azanyl-1-(2-methyl-5-oxidanyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C
InChI	InChI	1.03	InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25)
InChIKey	InChI	1.03	ZHMCGBRGDVCXLS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4ccccc4nc23
SMILES	CACTVS	3.385	Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4ccccc4nc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N)O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N)O

229380

건을2024-12-25부터공개중

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