QG5

(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Created:	2022-06-09
Last modified:	2022-07-27

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1 entries where QG5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	21

2D diagram of QG5

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Chemical Component Summary
Name	(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-1-(2-methyl-5-oxidanyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula	C₁₈ H₁₅ N₅ O₂
Molecular Weight	333.344
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C
SMILES	CACTVS	3.385	Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4ccccc4nc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N)O
Canonical SMILES	CACTVS	3.385	Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4ccccc4nc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N)O
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

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3321809
PubChem	91933866
ChEMBL	CHEMBL3321809

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