G7Q

(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

Created:	2018-09-01
Last modified:	2019-02-20

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1 entries where G7Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	5

2D diagram of G7Q

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Chemical Component Summary
Name	(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
Formula	C₁₈ H₂₆ F₂ N₄ O₂ S
Molecular Weight	400.486
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)c1csc(NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)n1
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)c1csc(n1)NC(=O)C2CNCCN2CCC3CCC(CC3)(F)F
Canonical SMILES	CACTVS	3.385	CC(=O)c1csc(NC(=O)[C@H]2CNCCN2CCC3CCC(F)(F)CC3)n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F
InChI	InChI	1.03	InChI=1S/C18H26F2N4O2S/c1-12(25)14-11-27-17(22-14)23-16(26)15-10-21-7-9-24(15)8-4-13-2-5-18(19,20)6-3-13/h11,13,15,21H,2-10H2,1H3,(H,22,23,26)/t15-/m1/s1
InChIKey	InChI	1.03	XAAULFWATXYIOV-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	137332106

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.