5GT

7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one

Created:	2015-09-24
Last modified:	2016-05-25

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1 entries where 5GT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of 5GT

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Chemical Component Summary
Name	7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
Formula	C₉ H₇ F₃ N₂ O
Molecular Weight	216.16
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1ccc2c(c1)NC(CN2)=O
SMILES	CACTVS	3.385	FC(F)(F)c1ccc2NCC(=O)Nc2c1
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1C(F)(F)F)NC(=O)CN2
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1ccc2NCC(=O)Nc2c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1C(F)(F)F)NC(=O)CN2
InChI	InChI	1.03	InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15)
InChIKey	InChI	1.03	DYBIQELZTJXUKA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5311897
ChEMBL	CHEMBL3818199

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