A1ATF

2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide

Created:	2024-05-29
Last modified:	2025-01-22

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1 entries where A1ATF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	22

2D diagram of A1ATF

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Chemical Component Summary
Name	2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide
Systematic Name (OpenEye OEToolkits)	2-[3-fluoranyl-4-[[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]amino]phenyl]ethanamide
Formula	C₂₃ H₂₁ F N₄ O₃ S
Molecular Weight	452.501
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)Cc1ccc(Nc2nnc(c3sccc32)c2ccccc2OCCOC)c(F)c1
SMILES	CACTVS	3.385	COCCOc1ccccc1c2nnc(Nc3ccc(CC(N)=O)cc3F)c4ccsc24
SMILES	OpenEye OEToolkits	2.0.7	COCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
Canonical SMILES	CACTVS	3.385	COCCOc1ccccc1c2nnc(Nc3ccc(CC(N)=O)cc3F)c4ccsc24
Canonical SMILES	OpenEye OEToolkits	2.0.7	COCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
InChI	InChI	1.06	InChI=1S/C23H21FN4O3S/c1-30-9-10-31-19-5-3-2-4-15(19)21-22-16(8-11-32-22)23(28-27-21)26-18-7-6-14(12-17(18)24)13-20(25)29/h2-8,11-12H,9-10,13H2,1H3,(H2,25,29)(H,26,28)
InChIKey	InChI	1.06	GWLCNGUGZNFYHI-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.