PT6

1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one

Created:	2014-03-22
Last modified:	2014-04-16

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3 entries where PT6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	11

2D diagram of PT6

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Chemical Component Summary
Name	1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	1-[(3-azanyl-2-methyl-phenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one
Formula	C₁₉ H₂₀ N₂ O₂ S
Molecular Weight	340.439
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2C=C(OCCc1sccc1)C=CN2Cc3cccc(N)c3C
SMILES	CACTVS	3.385	Cc1c(N)cccc1CN2C=CC(=CC2=O)OCCc3sccc3
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3
Canonical SMILES	CACTVS	3.385	Cc1c(N)cccc1CN2C=CC(=CC2=O)OCCc3sccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3
InChI	InChI	1.03	InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3
InChIKey	InChI	1.03	YCLREGRRHGLOAK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB12347
Name	CG-400549
Groups	investigational
Description	CG400549 has been used in trials studying the treatment of Skin Infection.
Synonyms	CG-400549
Categories	Sulfur Compounds
CAS number	934628-27-0

Related Resource References

Resource Name	Reference
PubChem	11844916
ChEMBL	CHEMBL488937

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.