7F5

3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

Created:	2014-10-21
Last modified:	2014-12-24

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2 entries where 7F5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	17

2D diagram of 7F5

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Chemical Component Summary
Name	3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
Systematic Name (OpenEye OEToolkits)	3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine
Formula	C₁₉ H₂₂ F N₅
Molecular Weight	339.41
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(c1)CCCNCCc2nc(ncc2)n3c(cnc3)C
SMILES	CACTVS	3.385	Cc1cncn1c2nccc(CCNCCCc3cccc(F)c3)n2
SMILES	OpenEye OEToolkits	1.7.6	Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F
Canonical SMILES	CACTVS	3.385	Cc1cncn1c2nccc(CCNCCCc3cccc(F)c3)n2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F
InChI	InChI	1.03	InChI=1S/C19H22FN5/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3
InChIKey	InChI	1.03	XNNXUOKGLOGLRV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118730383
ChEMBL	CHEMBL3547160

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.