Q05

6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine

Created:	2013-03-28
Last modified:	2013-08-07

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2 entries where Q05 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	18

2D diagram of Q05

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Chemical Component Summary
Name	6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methyl-pyridin-2-amine
Formula	C₂₂ H₂₄ F N₃ O
Molecular Weight	365.444
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(c1)CCNCc3cc(OCc2nc(N)cc(c2)C)ccc3
SMILES	CACTVS	3.370	Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F
Canonical SMILES	CACTVS	3.370	Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F
InChI	InChI	1.03	InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)
InChIKey	InChI	1.03	DDZKIKXHCIUETL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71627413
ChEMBL	CHEMBL2414435

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