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

A1IXL

Summary

Name:	~{N}-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butyl]-2-oxidanylidene-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide
Formula:	C27 H28 Cl2 N6 O2
Formal charge:	0
Formula weight:	539.456 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butyl]-2-oxidanylidene-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C27H28Cl2N6O2/c28-21-6-3-7-23(25(21)29)34-15-13-33(14-16-34)12-2-1-11-31-26(36)35-24-17-19(20-5-4-10-30-18-20)8-9-22(24)32-27(35)37/h3-10,17-18H,1-2,11-16H2,(H,31,36)(H,32,37)
InChIKey	InChI	1.06	VELXFGYVMVTLMF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(N2CCN(CCCCNC(=O)N3C(=O)Nc4ccc(cc34)c5cccnc5)CC2)c1Cl
SMILES	CACTVS	3.385	Clc1cccc(N2CCN(CCCCNC(=O)N3C(=O)Nc4ccc(cc34)c5cccnc5)CC2)c1Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5

255900

PDB entries from 2026-07-01

PDB statistics

PDBj update info

Contact PDBj

numon