A1EPF

~{N}-[1-methyl-3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-5-yl]indol-6-yl]propanamide

Created:	2025-04-18
Last modified:	2025-09-24

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1 entries where A1EPF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	0
Bond Count	74
Aromatic Bond Count	26

2D diagram of A1EPF

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Chemical Component Summary
Name	~{N}-[1-methyl-3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-5-yl]indol-6-yl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[1-methyl-3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-5-yl]indol-6-yl]propanamide
Formula	C₂₉ H₃₁ N₇ O₂
Molecular Weight	509.602
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)Nc1ccc2c(c1)n(C)cc2c3cccc4ncc(nc34)c5cnn(CCN6CCOCC6)c5
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1ccc2c(c1)n(cc2c3cccc4c3nc(cn4)c5cnn(c5)CCN6CCOCC6)C
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1ccc2c(c1)n(C)cc2c3cccc4ncc(nc34)c5cnn(CCN6CCOCC6)c5
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1ccc2c(c1)n(cc2c3cccc4c3nc(cn4)c5cnn(c5)CCN6CCOCC6)C
InChI	InChI	1.06	InChI=1S/C29H31N7O2/c1-3-28(37)32-21-7-8-22-24(19-34(2)27(22)15-21)23-5-4-6-25-29(23)33-26(17-30-25)20-16-31-36(18-20)10-9-35-11-13-38-14-12-35/h4-8,15-19H,3,9-14H2,1-2H3,(H,32,37)
InChIKey	InChI	1.06	MZNNPOZDHTXUDT-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.