A1LZ5

~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide

Created:	2024-04-03
Last modified:	2024-12-04

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1 entries where A1LZ5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	0
Bond Count	68
Aromatic Bond Count	17

2D diagram of A1LZ5

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Chemical Component Summary
Name	~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
Formula	C₂₈ H₃₁ N₃ O
Molecular Weight	425.565
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc4c56
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5CC4)N6CCN(CC6)C
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc4c56
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5CC4)N6CCN(CC6)C
InChI	InChI	1.06	InChI=1S/C28H31N3O/c1-19-6-10-22(31-16-14-30(2)15-17-31)18-24(19)27(32)29-28(12-13-28)25-11-9-21-8-7-20-4-3-5-23(25)26(20)21/h3-6,9-11,18H,7-8,12-17H2,1-2H3,(H,29,32)
InChIKey	InChI	1.06	OZFSYRYXVDORMK-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.