English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1EUD

Summary

Name:	~{N}-[(~{R})-(5-bromanylpyridin-2-yl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluoranyl-benzamide
Formula:	C20 H11 Br Cl2 F N3 O
Formal charge:	0
Formula weight:	479.129 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[(~{R})-(5-bromanylpyridin-2-yl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluoranyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H11BrCl2FN3O/c21-14-4-6-18(26-10-14)19(11-3-5-15(22)16(23)7-11)27-20(28)12-1-2-13(9-25)17(24)8-12/h1-8,10,19H,(H,27,28)/t19-/m1/s1
InChIKey	InChI	1.06	XTEYPDFMLGCQTR-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cc(ccc1C#N)C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)c3ccc(Br)cn3
SMILES	CACTVS	3.385	Fc1cc(ccc1C#N)C(=O)N[CH](c2ccc(Cl)c(Cl)c2)c3ccc(Br)cn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1[C@H](c2ccc(cn2)Br)NC(=O)c3ccc(c(c3)F)C#N)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(c2ccc(cn2)Br)NC(=O)c3ccc(c(c3)F)C#N)Cl)Cl

254587

PDB entries from 2026-06-03

PDB statistics

PDBj update info

Contact PDBj

numon