A4T

[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine

Created:	2017-08-16
Last modified:	2018-02-28

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1 entries where A4T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of A4T

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Chemical Component Summary
Name	[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
Systematic Name (OpenEye OEToolkits)	[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
Formula	C₁₃ H₁₁ Cl F N
Molecular Weight	235.685
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCc1ccc(c(Cl)c1)c2ccccc2F
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2ccc(cc2Cl)CN)F
Canonical SMILES	CACTVS	3.385	NCc1ccc(c(Cl)c1)c2ccccc2F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2ccc(cc2Cl)CN)F
InChI	InChI	1.03	InChI=1S/C13H11ClFN/c14-12-7-9(8-16)5-6-10(12)11-3-1-2-4-13(11)15/h1-7H,8,16H2
InChIKey	InChI	1.03	RDVSUVUAPHOYAU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	108393366
ChEMBL	CHEMBL4225845

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.