F13

3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

Created:	2009-02-03
Last modified:	2011-06-04

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1 entries where F13 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	18

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Chemical Component Summary
Name	3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	3-fluoro-N-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide
Formula	C₁₄ H₁₀ F N₅ O
Molecular Weight	283.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
SMILES	CACTVS	3.341	Fc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3
Canonical SMILES	CACTVS	3.341	Fc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3
InChI	InChI	1.03	InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKey	InChI	1.03	GAKOBKPDJJGRIL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07729
Name	3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Groups	experimental
Synonyms	3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase	MVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGV...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682