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Summary Geometry Related PDB entries

A1BZ2

Summary

Name:	5-({2-[(2-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}ethyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid
Formula:	C30 H28 Cl N5 O2
Formal charge:	0
Formula weight:	526.029 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	5-({2-[(2-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}ethyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid
OpenEye OEToolkits	3.1.0.0	5-[2-[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]ethylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(O)c1cc2nc(NCCNCCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1
InChI	InChI	1.06	InChI=1S/C30H28ClN5O2/c31-27-16-20(6-8-23(27)21-4-2-1-3-5-21)18-34-13-12-32-14-15-35-29-25-10-11-33-19-26(25)24-9-7-22(30(37)38)17-28(24)36-29/h1-11,16-17,19,32,34H,12-15,18H2,(H,35,36)(H,37,38)
InChIKey	InChI	1.06	NUZZUWIZRAPOCJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)c1ccc2c(c1)nc(NCCNCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25
SMILES	CACTVS	3.385	OC(=O)c1ccc2c(c1)nc(NCCNCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)c2ccc(cc2Cl)CNCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)c2ccc(cc2Cl)CNCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O

250359

PDB entries from 2026-03-11

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