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

L9F

Summary

Name:	(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
Formula:	C14 H10 Cl N3 O2
Formal charge:	0
Formula weight:	287.701 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
OpenEye OEToolkits	2.0.7	(5~{R})-3-(3-chlorophenyl)-5-pyridin-3-yl-imidazolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1
InChI	InChI	1.06	InChI=1S/C14H10ClN3O2/c15-10-4-1-5-11(7-10)18-13(19)12(17-14(18)20)9-3-2-6-16-8-9/h1-8,12H,(H,17,20)/t12-/m1/s1
InChIKey	InChI	1.06	GSEMEGPVJJVGNC-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(c1)N2C(=O)N[C@H](c3cccnc3)C2=O
SMILES	CACTVS	3.385	Clc1cccc(c1)N2C(=O)N[CH](c3cccnc3)C2=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)N2C(=O)[C@H](NC2=O)c3cccnc3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)N2C(=O)C(NC2=O)c3cccnc3

227111

数据于2024-11-06公开中

PDB statistics

PDBj update info

Contact PDBj

numon