SR7

N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide

Created:	2013-05-14
Last modified:	2013-06-26

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1 entries where SR7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	0
Bond Count	62
Aromatic Bond Count	26

2D diagram of SR7

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Chemical Component Summary
Name	N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
Formula	C₂₅ H₂₃ N₇ O S
Molecular Weight	469.561
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1nc2c(nc1)cccc2)Nc6c(c3nc4scc(n4c3)CN5CCNCC5)cccc6
SMILES	CACTVS	3.370	O=C(Nc1ccccc1c2cn3c(CN4CCNCC4)csc3n2)c5cnc6ccccc6n5
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5
Canonical SMILES	CACTVS	3.370	O=C(Nc1ccccc1c2cn3c(CN4CCNCC4)csc3n2)c5cnc6ccccc6n5
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5
InChI	InChI	1.03	InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
InChIKey	InChI	1.03	IASPBORHOMBZMY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB17057
Name	SRT-1720
Groups	investigational
Description	SRT-1720 is an activator of NAD(+)-dependent histone deacetylase SIRT1.[A253147]
Synonyms	N-(2-(3-(1-piperazinylmethyl)imidazo(2,1-b)thiazol-6-yl)phenyl)-2-quinoxalinecarboxamide 2-quinoxalinecarboxamide, n-(2-(3-(1-piperazinylmethyl)imidazo(2,1-b)thiazol-6-yl)phenyl)- SRT-1720
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	925434-55-5

Related Resource References

Resource Name	Reference
Pharos	CHEMBL257991
PubChem	24180125
ChEMBL	CHEMBL257991

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.