4L5

2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

Created:	2015-04-07
Last modified:	2015-05-27

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1 entries where 4L5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	16

2D diagram of 4L5

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Chemical Component Summary
Name	2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
Systematic Name (OpenEye OEToolkits)	2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
Formula	C₁₇ H₁₉ N₅ O₂
Molecular Weight	325.365
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(C(N)=O)c(c1)OC)c3n2c(ccc(n2)NC(C)C)nc3
SMILES	CACTVS	3.385	COc1cc(ccc1C(N)=O)c2cnc3ccc(NC(C)C)nn23
SMILES	OpenEye OEToolkits	1.9.2	CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N
Canonical SMILES	CACTVS	3.385	COc1cc(ccc1C(N)=O)c2cnc3ccc(NC(C)C)nn23
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N
InChI	InChI	1.03	InChI=1S/C17H19N5O2/c1-10(2)20-15-6-7-16-19-9-13(22(16)21-15)11-4-5-12(17(18)23)14(8-11)24-3/h4-10H,1-3H3,(H2,18,23)(H,20,21)
InChIKey	InChI	1.03	IBZJJCFFBCEGPS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	136664429

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.