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

A1EFZ

Summary

Name:	1-[1-[4-(imidazol-1-ylmethyl)-3,5-dimethoxy-phenyl]indolizin-3-yl]propan-1-one
Formula:	C23 H23 N3 O3
Formal charge:	0
Formula weight:	389.447 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-[1-[4-(imidazol-1-ylmethyl)-3,5-dimethoxy-phenyl]indolizin-3-yl]propan-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H23N3O3/c1-4-21(27)20-13-17(19-7-5-6-9-26(19)20)16-11-22(28-2)18(23(12-16)29-3)14-25-10-8-24-15-25/h5-13,15H,4,14H2,1-3H3
InChIKey	InChI	1.06	HNTMUAFBKMLFSP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)c1cc(c2cc(OC)c(Cn3ccnc3)c(OC)c2)c4ccccn14
SMILES	CACTVS	3.385	CCC(=O)c1cc(c2cc(OC)c(Cn3ccnc3)c(OC)c2)c4ccccn14
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(=O)c1cc(c2n1cccc2)c3cc(c(c(c3)OC)Cn4ccnc4)OC
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)c1cc(c2n1cccc2)c3cc(c(c(c3)OC)Cn4ccnc4)OC

251801

PDB entries from 2026-04-08

PDB statistics

PDBj update info

Contact PDBj

numon