5AN

3,5-DIFLUOROANILINE

Created:	2002-04-18
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where 5AN is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3,5-DIFLUOROANILINE
Systematic Name (OpenEye OEToolkits)	3,5-difluoroaniline
Formula	C₆ H₅ F₂ N
Molecular Weight	129.107
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1cc(N)cc(F)c1
SMILES	CACTVS	3.341	Nc1cc(F)cc(F)c1
SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(cc1F)F)N
Canonical SMILES	CACTVS	3.341	Nc1cc(F)cc(F)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(cc1F)F)N
InChI	InChI	1.03	InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey	InChI	1.03	KQOIBXZRCYFZSO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03238
Name	3,5-Difluoroaniline
Groups	experimental
Synonyms	3,5-Difluoroaniline
Categories	Amines

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lysozyme	MNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...	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