A1L6W

(~{E})-~{N}-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Created:	2024-12-10
Last modified:	2025-12-10

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2 entries where A1L6W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	6

2D diagram of A1L6W

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Chemical Component Summary
Name	(~{E})-~{N}-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Systematic Name (OpenEye OEToolkits)	(~{E})-~{N}-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Formula	C₁₆ H₁₆ F₃ N₃ O₃
Molecular Weight	355.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC(F)(F)c1ccc(C=CC(=O)NCC(=O)N2CCNC(=O)C2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=CC(=O)NCC(=O)N2CCNC(=O)C2)C(F)(F)F
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1ccc(/C=C/C(=O)NCC(=O)N2CCNC(=O)C2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1/C=C/C(=O)NCC(=O)N2CCNC(=O)C2)C(F)(F)F
InChI	InChI	1.06	InChI=1S/C16H16F3N3O3/c17-16(18,19)12-4-1-11(2-5-12)3-6-13(23)21-9-15(25)22-8-7-20-14(24)10-22/h1-6H,7-10H2,(H,20,24)(H,21,23)/b6-3+
InChIKey	InChI	1.06	SQCPJGHMDVTIRR-ZZXKWVIFSA-N

Related Resource References

Resource Name	Reference
PubChem	169781427

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.