T6B

[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone

Created:	2022-12-21
Last modified:	2023-03-08

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1 entries where T6B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	15

2D diagram of T6B

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Chemical Component Summary
Name	[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone
Synonyms	1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine
Systematic Name (OpenEye OEToolkits)	[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone
Formula	C₁₇ H₁₇ N₃ O₃
Molecular Weight	311.335
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1ccc2c(ccnc12)c3oc(cc3)C(=O)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.7	Cn1ccc2c1nccc2c3ccc(o3)C(=O)N4CCOCC4
Canonical SMILES	CACTVS	3.385	Cn1ccc2c(ccnc12)c3oc(cc3)C(=O)N4CCOCC4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1ccc2c1nccc2c3ccc(o3)C(=O)N4CCOCC4
InChI	InChI	1.06	InChI=1S/C17H17N3O3/c1-19-7-5-13-12(4-6-18-16(13)19)14-2-3-15(23-14)17(21)20-8-10-22-11-9-20/h2-7H,8-11H2,1H3
InChIKey	InChI	1.06	GADYVYMUQFVEQZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	70732391
ChEMBL	CHEMBL4932930

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.