TE7

5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one

Created:	2011-08-15
Last modified:	2011-08-15

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1 entries where TE7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	16

2D diagram of TE7

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Chemical Component Summary
Name	5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₉ H₂₀ N₄ O₂
Molecular Weight	336.388
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c1c(ccc(OC)c1)n3c4c2c(NCCN(C)C)ccc4nc3
SMILES	CACTVS	3.370	COc1ccc2n3cnc4ccc(NCCN(C)C)c(C(=O)c2c1)c34
SMILES	OpenEye OEToolkits	1.7.2	CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC
Canonical SMILES	CACTVS	3.370	COc1ccc2n3cnc4ccc(NCCN(C)C)c(C(=O)c2c1)c34
Canonical SMILES	OpenEye OEToolkits	1.7.2	CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC
InChI	InChI	1.03	InChI=1S/C19H20N4O2/c1-22(2)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(25-3)4-7-16(13)23(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3
InChIKey	InChI	1.03	NJTQMNXHSDDMHX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL125750
PubChem	11681568
ChEMBL	CHEMBL125750

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.