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Summary Geometry Related PDB entries

0GD

Summary

Name:	6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine
Formula:	C21 H22 F N3
Formal charge:	0
Formula weight:	335.418 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine
OpenEye OEToolkits	1.7.6	6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(c1)CCNCc3ccc(c2nc(N)cc(c2)C)cc3
InChI	InChI	1.03	InChI=1S/C21H22FN3/c1-15-11-20(25-21(23)12-15)18-7-5-17(6-8-18)14-24-10-9-16-3-2-4-19(22)13-16/h2-8,11-13,24H,9-10,14H2,1H3,(H2,23,25)
InChIKey	InChI	1.03	YIRCIVHQWVHKOD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(N)nc(c1)c2ccc(CNCCc3cccc(F)c3)cc2
SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)c2ccc(CNCCc3cccc(F)c3)cc2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F

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